5xa3

Crystal Structure of P450BM3 with Benzyloxycarbonyl-L-prolyl-L-phenylalanine

Method: X-RAY DIFFRACTION D_max: 186.6 Å Quality: REASONABLE

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1. 蛋白身份与相关结构 Protein Identity & Related Structures

Bifunctional cytochrome P450/NADPH-P450 reductase

Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / VKM B-512)

当前结构中的状态

Assembly	聚集状态	构建体	突变与修饰	配体、离子与共同组分	实验方法与环境	结构质量
1	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 A； UniProt 1–456	片段：UNP RESIDUES 1-456	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 DMS DIMETHYL SULFOXIDE × 1 PRO PROLINE × 1 PHE PHENYLALANINE × 1 PHQ benzyl chlorocarbonate × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 7.9；293 K；75mM Tris-HCl (pH7.9), 0.1% (v/v) dimethyl sulfoxide, 0.1mM Benzyloxycarbonyl-L-prolyl-L-phenylalanine, 60mM MgCl, 10.5% (w/v) PEG 8000	分辨率 2.20 Å R-free 0.253
2	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 B； UniProt 1–456	片段：UNP RESIDUES 1-456	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 DMS DIMETHYL SULFOXIDE × 1 PRO PROLINE × 1 PHE PHENYLALANINE × 1 PHQ benzyl chlorocarbonate × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 7.9；293 K；75mM Tris-HCl (pH7.9), 0.1% (v/v) dimethyl sulfoxide, 0.1mM Benzyloxycarbonyl-L-prolyl-L-phenylalanine, 60mM MgCl, 10.5% (w/v) PEG 8000	分辨率 2.20 Å R-free 0.253
3	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 C； UniProt 1–456	片段：UNP RESIDUES 1-456	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 DMS DIMETHYL SULFOXIDE × 1 PRO PROLINE × 1 PHE PHENYLALANINE × 1 PHQ benzyl chlorocarbonate × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 7.9；293 K；75mM Tris-HCl (pH7.9), 0.1% (v/v) dimethyl sulfoxide, 0.1mM Benzyloxycarbonyl-L-prolyl-L-phenylalanine, 60mM MgCl, 10.5% (w/v) PEG 8000	分辨率 2.20 Å R-free 0.253
4	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 D； UniProt 1–456	片段：UNP RESIDUES 1-456	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 DMS DIMETHYL SULFOXIDE × 1 PRO PROLINE × 1 PHE PHENYLALANINE × 1 PHQ benzyl chlorocarbonate × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 7.9；293 K；75mM Tris-HCl (pH7.9), 0.1% (v/v) dimethyl sulfoxide, 0.1mM Benzyloxycarbonyl-L-prolyl-L-phenylalanine, 60mM MgCl, 10.5% (w/v) PEG 8000	分辨率 2.20 Å R-free 0.253

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly， “相对当前条目”直接指出证据层面的不同；没有差异标签表示当前已读取字段一致。

其他 PDB	相对当前条目 5XA3	Assembly / 聚集状态	构建体	突变与修饰	配体、离子与非聚合物	实验方法与环境	结构质量
1BU7 CRYOGENIC STRUCTURE OF CYTOCHROME P450BM-3 HEME DOMAIN 提交 1998-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–455（455 aa）片段：HEME DOMAIN	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EDO 1,2-ETHANEDIOL × 6	X-RAY DIFFRACTION X-ray结晶条件 pH 7；pH 7.0	分辨率 1.65 Å R-free 0.251
1BU7 CRYOGENIC STRUCTURE OF CYTOCHROME P450BM-3 HEME DOMAIN 提交 1998-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–455（455 aa）片段：HEME DOMAIN	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EDO 1,2-ETHANEDIOL × 8	X-RAY DIFFRACTION X-ray结晶条件 pH 7；pH 7.0	分辨率 1.65 Å R-free 0.251
1BVY COMPLEX OF THE HEME AND FMN-BINDING DOMAINS OF THE CYTOCHROME P450(BM-3) 提交 1998-09-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 3 PDB 声明：trimeric	链 A 1–458（458 aa）片段：HEME-BINDING DOMAIN 链 B 1–458（458 aa）片段：HEME-BINDING DOMAIN 链 F 459–649（191 aa）片段：FMN-BINDING DOMAIN	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 EDO 1,2-ETHANEDIOL × 5 FMN FLAVIN MONONUCLEOTIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6.8；LIQUID-LIQUID FREE INTERFACE DIFFUSION AT ROOM TEMPERATURE IN PEG 8000, PIPES PH 6.8, NH4CL.	分辨率 2.03 Å R-free 0.275
1FAG STRUCTURE OF CYTOCHROME P450 提交 1996-08-01	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–471（471 aa）片段：HEME DOMAIN	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PAM PALMITOLEIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6；SEE REFERENCE 1, pH 6.0	分辨率 2.70 Å R-free 0.353
1FAG STRUCTURE OF CYTOCHROME P450 提交 1996-08-01	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–471（471 aa）片段：HEME DOMAIN	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PAM PALMITOLEIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6；SEE REFERENCE 1, pH 6.0	分辨率 2.70 Å R-free 0.353
1FAG STRUCTURE OF CYTOCHROME P450 提交 1996-08-01	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 1–471（471 aa）片段：HEME DOMAIN	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PAM PALMITOLEIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6；SEE REFERENCE 1, pH 6.0	分辨率 2.70 Å R-free 0.353
1FAG STRUCTURE OF CYTOCHROME P450 提交 1996-08-01	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 1–471（471 aa）片段：HEME DOMAIN	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PAM PALMITOLEIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6；SEE REFERENCE 1, pH 6.0	分辨率 2.70 Å R-free 0.353
1FAH STRUCTURE OF CYTOCHROME P450 提交 1996-08-01	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–471（471 aa）片段：HEME DOMAIN	突变：T268A	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6.8；SEE REFERENCE 1, pH 6.8	分辨率 2.30 Å
1FAH STRUCTURE OF CYTOCHROME P450 提交 1996-08-01	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–471（471 aa）片段：HEME DOMAIN	突变：T268A	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6.8；SEE REFERENCE 1, pH 6.8	分辨率 2.30 Å
1JME Crystal Structure of Phe393His Cytochrome P450 BM3 提交 2001-07-18	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–455（455 aa）片段：CYTOCHROME P450 链 B 1–455（455 aa）片段：CYTOCHROME P450	突变：F393H 突变：F393H	HEM PROTOPORPHYRIN IX CONTAINING FE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；PEG 8000, PIPES, magnesium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP at 277K	分辨率 2.00 Å R-free 0.231
1JPZ Crystal structure of a complex of the heme domain of P450BM-3 with N-Palmitoylglycine 提交 2001-08-03	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–470（470 aa）片段：CYTOCHROME P450 102 DOMAIN	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 140 N-PALMITOYLGLYCINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；6% PEG 3350, 25 mM potassium phosphate, 50 mM magnesium chloride, 50 mM Morpholinoethanesulfonic acid pH 6.0, VAPOR DIFFUSION, HANGING DROP at 277K	分辨率 1.65 Å R-free 0.193
1JPZ Crystal structure of a complex of the heme domain of P450BM-3 with N-Palmitoylglycine 提交 2001-08-03	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–470（470 aa）片段：CYTOCHROME P450 102 DOMAIN	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 140 N-PALMITOYLGLYCINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；6% PEG 3350, 25 mM potassium phosphate, 50 mM magnesium chloride, 50 mM Morpholinoethanesulfonic acid pH 6.0, VAPOR DIFFUSION, HANGING DROP at 277K	分辨率 1.65 Å R-free 0.193
1P0V F393A mutant heme domain of flavocytochrome P450 BM3 提交 2003-04-11	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–455（455 aa）片段：Heme domain, residues 1-455 of SWS P14779 链 B 1–455（455 aa）片段：Heme domain, residues 1-455 of SWS P14779	突变：F393A 突变：F393A	HEM PROTOPORPHYRIN IX CONTAINING FE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；PEG 8000, PIPES, MAGNESIUM SULFATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.05 Å R-free 0.237
1P0W F393W mutant heme domain of flavocytochrome P450 BM3 提交 2003-04-11	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–455（455 aa）片段：Heme domain, residues 1-455 of SWS P14779 链 B 1–455（455 aa）片段：Heme domain, residues 1-455 of SWS P14779	突变：F393W 突变：F393W	HEM PROTOPORPHYRIN IX CONTAINING FE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；PEG 8000, PIPES, MAGNESIUM SULFATE , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.00 Å R-free 0.221
1P0X F393Y mutant heme domain of flavocytochrome P450 BM3 提交 2003-04-11	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–455（455 aa）片段：Heme domain, residues 1-455 of SWS P14779 链 B 1–455（455 aa）片段：Heme domain, residues 1-455 of SWS P14779	突变：F393Y 突变：F393Y	HEM PROTOPORPHYRIN IX CONTAINING FE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；PEG 8000, PIPES, MAGNESIUM SULFATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.00 Å R-free 0.237
1SMI A single mutation of P450 BM3 induces the conformational rearrangement seen upon substrate-binding in wild-type enzyme 提交 2004-03-09	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–471（471 aa）片段：cytochrome P450 102	突变：A264E	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.3；277 K；PEG 2000, MME, 10mM Manganese sulphate, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.00 Å R-free 0.288
1SMI A single mutation of P450 BM3 induces the conformational rearrangement seen upon substrate-binding in wild-type enzyme 提交 2004-03-09	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–471（471 aa）片段：cytochrome P450 102	突变：A264E	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.3；277 K；PEG 2000, MME, 10mM Manganese sulphate, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.00 Å R-free 0.288
1SMJ Structure of the A264E mutant of cytochrome P450 BM3 complexed with palmitoleate 提交 2004-03-09	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–471（471 aa）片段：cytochrome P450 102	突变：A264E	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PAM PALMITOLEIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.3；277 K；PEG 2000, MME, 100mM magnesium acetate, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.75 Å R-free 0.338
1SMJ Structure of the A264E mutant of cytochrome P450 BM3 complexed with palmitoleate 提交 2004-03-09	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–471（471 aa）片段：cytochrome P450 102	突变：A264E	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PAM PALMITOLEIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.3；277 K；PEG 2000, MME, 100mM magnesium acetate, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.75 Å R-free 0.338
1SMJ Structure of the A264E mutant of cytochrome P450 BM3 complexed with palmitoleate 提交 2004-03-09	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 1–471（471 aa）片段：cytochrome P450 102	突变：A264E	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PAM PALMITOLEIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.3；277 K；PEG 2000, MME, 100mM magnesium acetate, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.75 Å R-free 0.338
1SMJ Structure of the A264E mutant of cytochrome P450 BM3 complexed with palmitoleate 提交 2004-03-09	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 1–471（471 aa）片段：cytochrome P450 102	突变：A264E	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PAM PALMITOLEIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.3；277 K；PEG 2000, MME, 100mM magnesium acetate, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.75 Å R-free 0.338
1YQO T268A mutant heme domain of flavocytochrome P450 BM3 提交 2005-02-02	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–455（455 aa）片段：cytochrome domain	突变：T268A	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100mM sodium PIPES, 40mM MgSO4, 18-21% PEG8000, pH 6.0-7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.90 Å R-free 0.206
1YQO T268A mutant heme domain of flavocytochrome P450 BM3 提交 2005-02-02	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–455（455 aa）片段：cytochrome domain	突变：T268A	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100mM sodium PIPES, 40mM MgSO4, 18-21% PEG8000, pH 6.0-7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.90 Å R-free 0.206
1YQP T268N mutant cytochrome domain of flavocytochrome P450 BM3 提交 2005-02-02	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–455（455 aa）片段：cytochrome domain	突变：T268N	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100mM sodium PIPES, 40mM MgSO4, 18-21% PEG8000, pH 6.0-7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.80 Å R-free 0.210
1YQP T268N mutant cytochrome domain of flavocytochrome P450 BM3 提交 2005-02-02	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–455（455 aa）片段：cytochrome domain	突变：T268N	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100mM sodium PIPES, 40mM MgSO4, 18-21% PEG8000, pH 6.0-7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.80 Å R-free 0.210
1ZO4 Crystal Structure Of A328S Mutant Of The Heme Domain Of P450BM-3 提交 2005-05-12	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–470（470 aa）片段：Cytochrome P450	突变：A328S	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 GOL GLYCEROL × 11	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；PEG 3350, MES, magnesium chloride, Glycerol, pH 6.0, temperature 277K, VAPOR DIFFUSION, HANGING DROP	分辨率 1.46 Å R-free 0.216
1ZO4 Crystal Structure Of A328S Mutant Of The Heme Domain Of P450BM-3 提交 2005-05-12	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–470（470 aa）片段：Cytochrome P450	突变：A328S	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 GOL GLYCEROL × 9	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；PEG 3350, MES, magnesium chloride, Glycerol, pH 6.0, temperature 277K, VAPOR DIFFUSION, HANGING DROP	分辨率 1.46 Å R-free 0.216
1ZO9 Crystal Structure Of The Wild Type Heme Domain Of P450BM-3 with N-palmitoylmethionine 提交 2005-05-12	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–470（470 aa）片段：Cytochrome P450	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EPM N-PALMITOYL-L-METHIONINE × 1 GOL GLYCEROL × 11	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；PEG 3350, MES, Magnesium Chloride, Glycerol, pH 6.0, temperature 277K, VAPOR DIFFUSION, HANGING DROP	分辨率 1.70 Å R-free 0.199
1ZO9 Crystal Structure Of The Wild Type Heme Domain Of P450BM-3 with N-palmitoylmethionine 提交 2005-05-12	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–470（470 aa）片段：Cytochrome P450	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 EPM N-PALMITOYL-L-METHIONINE × 1 GOL GLYCEROL × 3 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；PEG 3350, MES, Magnesium Chloride, Glycerol, pH 6.0, temperature 277K, VAPOR DIFFUSION, HANGING DROP	分辨率 1.70 Å R-free 0.199
1ZOA Crystal Structure Of A328V Mutant Of The Heme Domain Of P450Bm-3 With N-Palmitoylglycine 提交 2005-05-12	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–470（470 aa）片段：Cytochrome P450	突变：A328V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 140 N-PALMITOYLGLYCINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.3；277 K；PEG 3350, MES, Magnesium Chloride, Glycerol, pH 6.3, temperature 277K, VAPOR DIFFUSION, HANGING DROP	分辨率 1.74 Å R-free 0.196
1ZOA Crystal Structure Of A328V Mutant Of The Heme Domain Of P450Bm-3 With N-Palmitoylglycine 提交 2005-05-12	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–470（470 aa）片段：Cytochrome P450	突变：A328V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 140 N-PALMITOYLGLYCINE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.3；277 K；PEG 3350, MES, Magnesium Chloride, Glycerol, pH 6.3, temperature 277K, VAPOR DIFFUSION, HANGING DROP	分辨率 1.74 Å R-free 0.196
2BMH MODELING PROTEIN-SUBSTRATE INTERACTIONS IN THE HEME DOMAIN OF CYTOCHROME P450BM-3 提交 1994-05-17	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–455（455 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.00 Å
2BMH MODELING PROTEIN-SUBSTRATE INTERACTIONS IN THE HEME DOMAIN OF CYTOCHROME P450BM-3 提交 1994-05-17	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–455（455 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.00 Å
2HPD CRYSTAL STRUCTURE OF HEMOPROTEIN DOMAIN OF P450BM-3, A PROTOTYPE FOR MICROSOMAL P450'S 提交 1993-09-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–471（471 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.00 Å
2HPD CRYSTAL STRUCTURE OF HEMOPROTEIN DOMAIN OF P450BM-3, A PROTOTYPE FOR MICROSOMAL P450'S 提交 1993-09-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–471（471 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.00 Å
2IJ2 Atomic structure of the heme domain of flavocytochrome P450-BM3 提交 2006-09-29	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–470（470 aa）片段：Cytochrome P450 (Residues 1-470)	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；PEG and Magnesium sulphate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 1.20 Å R-free 0.166
2IJ2 Atomic structure of the heme domain of flavocytochrome P450-BM3 提交 2006-09-29	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–470（470 aa）片段：Cytochrome P450 (Residues 1-470)	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；PEG and Magnesium sulphate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 1.20 Å R-free 0.166
2IJ3 Structure of the A264H mutant of cytochrome P450 BM3 提交 2006-09-29	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–470（470 aa）片段：Residues 1-470	突变：A264H	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；PEG and Magnesium sulphate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 1.90 Å R-free 0.218
2IJ3 Structure of the A264H mutant of cytochrome P450 BM3 提交 2006-09-29	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–470（470 aa）片段：Residues 1-470	突变：A264H	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；PEG and Magnesium sulphate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 1.90 Å R-free 0.218
2IJ4 Structure of the A264K mutant of cytochrome P450 BM3 提交 2006-09-29	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–470（470 aa）片段：Residues 1-470	突变：A264K	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；PEG and Magenesium sulphate, VAPOR DIFFUSION, SITTING DROP, pH 6.0, temperature 293K	分辨率 2.40 Å R-free 0.273
2IJ4 Structure of the A264K mutant of cytochrome P450 BM3 提交 2006-09-29	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–470（470 aa）片段：Residues 1-470	突变：A264K	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；PEG and Magenesium sulphate, VAPOR DIFFUSION, SITTING DROP, pH 6.0, temperature 293K	分辨率 2.40 Å R-free 0.273
2J1M P450 BM3 Heme domain in complex with DMSO 提交 2006-08-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–455（455 aa）片段：HEME DOMAIN, RESIDUES 1-455	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ZN ZINC ION × 5 DMS DIMETHYL SULFOXIDE × 2	X-RAY DIFFRACTION X-ray结晶条件 0.04 M ZINC ACETATE, 15 % (W/V) PEG3350, 14 % (V/V) DMSO	分辨率 1.70 Å R-free 0.199
2J1M P450 BM3 Heme domain in complex with DMSO 提交 2006-08-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–455（455 aa）片段：HEME DOMAIN, RESIDUES 1-455	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ZN ZINC ION × 2 DMS DIMETHYL SULFOXIDE × 2	X-RAY DIFFRACTION X-ray结晶条件 0.04 M ZINC ACETATE, 15 % (W/V) PEG3350, 14 % (V/V) DMSO	分辨率 1.70 Å R-free 0.199
2J4S P450 BM3 heme domain in complex with DMSO 提交 2006-09-05	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–455（455 aa）片段：HEME DOMAIN, RESIDUES 1-455	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PEG DI(HYDROXYETHYL)ETHER × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.10 Å R-free 0.243
2J4S P450 BM3 heme domain in complex with DMSO 提交 2006-09-05	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–455（455 aa）片段：HEME DOMAIN, RESIDUES 1-455	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PEG DI(HYDROXYETHYL)ETHER × 3 ZN ZINC ION × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.10 Å R-free 0.243
2NNB The Q403K mutant heme domain of flavocytochrome P450 BM3 提交 2006-10-24	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–471（471 aa）片段：heme domain	突变：Q403K	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100mM PIPES, 40mM MgSO4, 18-21% PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.90 Å R-free 0.233
2NNB The Q403K mutant heme domain of flavocytochrome P450 BM3 提交 2006-10-24	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–471（471 aa）片段：heme domain	突变：Q403K	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100mM PIPES, 40mM MgSO4, 18-21% PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.90 Å R-free 0.233
2UWH Cytochrome P450 BM3 mutant in complex with palmitic acid 提交 2007-03-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–458（458 aa）片段：HEME DOMAIN, RESIDUES 1-458	突变：YES	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PLM PALMITIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 5；140 MM MGCL2, 25% POLYETHYLENE GLYCOL 2000MME AND 100 MM MESA, PH 5.0	分辨率 2.80 Å R-free 0.299
2UWH Cytochrome P450 BM3 mutant in complex with palmitic acid 提交 2007-03-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–458（458 aa）片段：HEME DOMAIN, RESIDUES 1-458	突变：YES	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PLM PALMITIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 5；140 MM MGCL2, 25% POLYETHYLENE GLYCOL 2000MME AND 100 MM MESA, PH 5.0	分辨率 2.80 Å R-free 0.299
2UWH Cytochrome P450 BM3 mutant in complex with palmitic acid 提交 2007-03-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 1–458（458 aa）片段：HEME DOMAIN, RESIDUES 1-458	突变：YES	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PLM PALMITIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 5；140 MM MGCL2, 25% POLYETHYLENE GLYCOL 2000MME AND 100 MM MESA, PH 5.0	分辨率 2.80 Å R-free 0.299
2UWH Cytochrome P450 BM3 mutant in complex with palmitic acid 提交 2007-03-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 1–458（458 aa）片段：HEME DOMAIN, RESIDUES 1-458	突变：YES	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PLM PALMITIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 5；140 MM MGCL2, 25% POLYETHYLENE GLYCOL 2000MME AND 100 MM MESA, PH 5.0	分辨率 2.80 Å R-free 0.299
2UWH Cytochrome P450 BM3 mutant in complex with palmitic acid 提交 2007-03-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 5 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 1–458（458 aa）片段：HEME DOMAIN, RESIDUES 1-458	突变：YES	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PLM PALMITIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 5；140 MM MGCL2, 25% POLYETHYLENE GLYCOL 2000MME AND 100 MM MESA, PH 5.0	分辨率 2.80 Å R-free 0.299
2UWH Cytochrome P450 BM3 mutant in complex with palmitic acid 提交 2007-03-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 6 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 F 1–458（458 aa）片段：HEME DOMAIN, RESIDUES 1-458	突变：YES	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PLM PALMITIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 5；140 MM MGCL2, 25% POLYETHYLENE GLYCOL 2000MME AND 100 MM MESA, PH 5.0	分辨率 2.80 Å R-free 0.299
2X7Y P450 BM3 F87A in complex with DMSO 提交 2010-03-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）片段：HEME DOMAIN, RESIDUES 1-455	突变：YES	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ZN ZINC ION × 3 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.10 Å R-free 0.243
2X7Y P450 BM3 F87A in complex with DMSO 提交 2010-03-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）片段：HEME DOMAIN, RESIDUES 1-455	突变：YES	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.10 Å R-free 0.243
2X80 P450 BM3 F87A in complex with DMSO 提交 2010-03-05	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）片段：HEME DOMAIN, RESIDUES 2-456	突变：YES	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.30 Å R-free 0.250
2X80 P450 BM3 F87A in complex with DMSO 提交 2010-03-05	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）片段：HEME DOMAIN, RESIDUES 2-456	突变：YES	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ZN ZINC ION × 2 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.30 Å R-free 0.250
3BEN Structure of N-(12-imidazolyl-dodecanoyl)-L-leucine inhibitor bound to the heme domain of Cytochrome P450-BM3 提交 2007-11-19	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–470（470 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 LEH N-[12-(1H-imidazol-1-yl)dodecanoyl]-L-leucine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；11% (w/v) PEG-3350, 200 mM magnesium chloride, 7.5% (v/v) glycerol, 100 mM MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.65 Å R-free 0.191
3BEN Structure of N-(12-imidazolyl-dodecanoyl)-L-leucine inhibitor bound to the heme domain of Cytochrome P450-BM3 提交 2007-11-19	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–470（470 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 LEH N-[12-(1H-imidazol-1-yl)dodecanoyl]-L-leucine × 1 MG MAGNESIUM ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；11% (w/v) PEG-3350, 200 mM magnesium chloride, 7.5% (v/v) glycerol, 100 mM MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.65 Å R-free 0.191
3CBD Directed Evolution of cytochrome P450 BM3, to octane monoxygenase 139-3 提交 2008-02-21	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）片段：Cytochrome P450 heme domain, residues 2-456	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 140 N-PALMITOYLGLYCINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；20% PEG 20,000, 50mM LiBr,100mM MOPS, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K	分辨率 2.65 Å R-free 0.258
3CBD Directed Evolution of cytochrome P450 BM3, to octane monoxygenase 139-3 提交 2008-02-21	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）片段：Cytochrome P450 heme domain, residues 2-456	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 140 N-PALMITOYLGLYCINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；20% PEG 20,000, 50mM LiBr,100mM MOPS, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K	分辨率 2.65 Å R-free 0.258
3DGI Crystal structure of F87A/T268A mutant of CYP BM3 提交 2008-06-13	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）片段：Cytochrome P450 102, heme domain: Residues 2-456	突变：F87A, T268A	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；12% PEG 8000, 100mM Tris-HCl pH 8.5, 200mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.95 Å R-free 0.220
3DGI Crystal structure of F87A/T268A mutant of CYP BM3 提交 2008-06-13	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）片段：Cytochrome P450 102, heme domain: Residues 2-456	突变：F87A, T268A	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；12% PEG 8000, 100mM Tris-HCl pH 8.5, 200mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.95 Å R-free 0.220
3EKB Crystal structure of the A264C mutant heme domain of cytochrome P450 BM3 提交 2008-09-19	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–471（470 aa）片段：BM3 heme domain	突变：A264C	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；PEG and Magnesium sulphate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.30 Å R-free 0.302
3EKB Crystal structure of the A264C mutant heme domain of cytochrome P450 BM3 提交 2008-09-19	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–471（470 aa）片段：BM3 heme domain	突变：A264C	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；PEG and Magnesium sulphate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.30 Å R-free 0.302
3EKD Crystal structure of the A264M heme domain of cytochrome P450 BM3 提交 2008-09-19	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–471（470 aa）片段：heme domain	突变：A264M	PAM PALMITOLEIC ACID × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；Magnesiumsulphate and PEG, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.50 Å R-free 0.252
3EKD Crystal structure of the A264M heme domain of cytochrome P450 BM3 提交 2008-09-19	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–471（470 aa）片段：heme domain	突变：A264M	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；Magnesiumsulphate and PEG, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.50 Å R-free 0.252
3EKF Crystal structure of the A264Q heme domain of cytochrome P450 BM3 提交 2008-09-19	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–471（470 aa）片段：heme domain	突变：A264Q	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；Magnesium sulphate and PEG, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.10 Å R-free 0.267
3EKF Crystal structure of the A264Q heme domain of cytochrome P450 BM3 提交 2008-09-19	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–471（470 aa）片段：heme domain	突变：A264Q	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；Magnesium sulphate and PEG, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.10 Å R-free 0.267
3HF2 Crystal structure of the I401P mutant of cytochrome P450 BM3 提交 2009-05-10	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 1–482（482 aa）片段：heme domain, UNP residues 1-482 链 B 1–482（482 aa）片段：heme domain, UNP residues 1-482	突变：I401P 突变：I401P	HEM PROTOPORPHYRIN IX CONTAINING FE × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；289 K；25% PEG 3350, 0.2M magnesium chloride, 0.1M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 289.0K	分辨率 2.20 Å R-free 0.245
3KX3 Crystal structure of Bacillus megaterium BM3 heme domain mutant L86E 提交 2009-12-02	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–471（470 aa）片段：heme domain (UNP residues 2-471)	突变：L86E	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 140 N-PALMITOYLGLYCINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.4；277 K；100mM cacodylic acid, pH 6.0, 16% PEG 3350, 140mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.80 Å R-free 0.195
3KX3 Crystal structure of Bacillus megaterium BM3 heme domain mutant L86E 提交 2009-12-02	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–471（470 aa）片段：heme domain (UNP residues 2-471)	突变：L86E	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 140 N-PALMITOYLGLYCINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.4；277 K；100mM cacodylic acid, pH 6.0, 16% PEG 3350, 140mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.80 Å R-free 0.195
3KX4 Crystal structure of Bacillus megaterium BM3 heme domain mutant I401E 提交 2009-12-02	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–471（470 aa）片段：Heme domain (UNP residues 2-471)	突变：I401E	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.4；277 K；100mM cacodylic acid, pH 6.0, containing 18% PEG 3350, 140mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.95 Å R-free 0.210
3KX4 Crystal structure of Bacillus megaterium BM3 heme domain mutant I401E 提交 2009-12-02	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–471（470 aa）片段：Heme domain (UNP residues 2-471)	突变：I401E	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.4；277 K；100mM cacodylic acid, pH 6.0, containing 18% PEG 3350, 140mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.95 Å R-free 0.210
3KX5 Crystal structure of Bacillus megaterium BM3 heme domain mutant F261E 提交 2009-12-02	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–471（470 aa）片段：Heme domain (UNP residues 2-471)	突变：F261E	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.4；277 K；100mM cacodylic acid, pH 6.0, 13% PEG 3350, 140mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.69 Å R-free 0.208
3KX5 Crystal structure of Bacillus megaterium BM3 heme domain mutant F261E 提交 2009-12-02	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–471（470 aa）片段：Heme domain (UNP residues 2-471)	突变：F261E	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.4；277 K；100mM cacodylic acid, pH 6.0, 13% PEG 3350, 140mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.69 Å R-free 0.208
3M4V Crystal structure of the A330P mutant of cytochrome P450 BM3 提交 2010-03-12	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–482（482 aa）片段：heme domain, residues 1-482	突变：A330P	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.2；289 K；0.1M Tris, 0.2M magnesium chloride, 24% PEG 3350, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 289K	分辨率 1.90 Å R-free 0.232
3M4V Crystal structure of the A330P mutant of cytochrome P450 BM3 提交 2010-03-12	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–482（482 aa）片段：heme domain, residues 1-482	突变：A330P	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.2；289 K；0.1M Tris, 0.2M magnesium chloride, 24% PEG 3350, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 289K	分辨率 1.90 Å R-free 0.232
3NPL Structure of Ru(bpy)2(A-Phen)(K97C) P450 BM3 heme domain, a ruthenium modified P450 BM3 mutant 提交 2010-06-28	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–464（464 aa）片段：UNP residues 1-464	突变：C62A, K97C, C156S	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.4；277 K；2M (NH4)2SO4, pH 8.4, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.40 Å R-free 0.238
3NPL Structure of Ru(bpy)2(A-Phen)(K97C) P450 BM3 heme domain, a ruthenium modified P450 BM3 mutant 提交 2010-06-28	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–464（464 aa）片段：UNP residues 1-464	突变：C62A, K97C, C156S	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 RU8 bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[2-iodo-N-(1,10-phenanthrolin-5-yl-kappa~2~N~1~,N~10~)acetamide]ruthenium(2+) × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.4；277 K；2M (NH4)2SO4, pH 8.4, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.40 Å R-free 0.238
3PSX Crystal structure of the KT2 mutant of cytochrome P450 BM3 提交 2010-12-02	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–482（482 aa）片段：heme domain, residues 1-482	突变：A191T,N239H,I259V,A276T,L353I	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；289 K；0.1M Tris, pH 8.0, 0.2M magnesium chloride, 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 289K	分辨率 1.90 Å R-free 0.224
3PSX Crystal structure of the KT2 mutant of cytochrome P450 BM3 提交 2010-12-02	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–482（482 aa）片段：heme domain, residues 1-482	突变：A191T,N239H,I259V,A276T,L353I	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；289 K；0.1M Tris, pH 8.0, 0.2M magnesium chloride, 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 289K	分辨率 1.90 Å R-free 0.224
3WSP Crystal Structure of P450BM3 with N-perfluorononanoyl-L-tryptophan 提交 2014-03-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）片段：UNP Residues 1-455	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 W09 N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)-L-tryptophan × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.9；293 K；75mM Tris-HCl (pH7.9), 50uM N-perfluorononanoyl L-tryptophan, 0.5% (v/v) dimethyl sulfoxide, 105mM MgCl and 10.5% (w/v) PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 1.80 Å R-free 0.212
3WSP Crystal Structure of P450BM3 with N-perfluorononanoyl-L-tryptophan 提交 2014-03-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）片段：UNP Residues 1-455	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 W09 N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)-L-tryptophan × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.9；293 K；75mM Tris-HCl (pH7.9), 50uM N-perfluorononanoyl L-tryptophan, 0.5% (v/v) dimethyl sulfoxide, 105mM MgCl and 10.5% (w/v) PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 1.80 Å R-free 0.212
4DQK Crystal structure of the FAD binding domain of cytochrome P450 BM3 提交 2012-02-16	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 659–1049（391 aa）片段：Cytochrome P450 BM3,UNP residues 659-1049	突变：C774A	FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 SO4 SULFATE ION × 3 PG4 TETRAETHYLENE GLYCOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；2 microL of mother liquor to 2 microL of 12 mg/ml FAD domain. Crystals were obtained using a well solution of 28% polyethylene glycol 8000, 0.3 M ammonium sulfate, cacodylate buffer pH 6.5. Crystals of dimensions 70 x 70 x 900 M formed after 4-7 days. In order to form a coenzyme complex with NADP+, C773A/C999A FAD domain crystals were soaked in a 10 mM NADP+ solution for 10 minutes., VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.40 Å R-free 0.256
4DQK Crystal structure of the FAD binding domain of cytochrome P450 BM3 提交 2012-02-16	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 659–1049（391 aa）片段：Cytochrome P450 BM3,UNP residues 659-1049	突变：C774A	FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 SO4 SULFATE ION × 3 PG4 TETRAETHYLENE GLYCOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；2 microL of mother liquor to 2 microL of 12 mg/ml FAD domain. Crystals were obtained using a well solution of 28% polyethylene glycol 8000, 0.3 M ammonium sulfate, cacodylate buffer pH 6.5. Crystals of dimensions 70 x 70 x 900 M formed after 4-7 days. In order to form a coenzyme complex with NADP+, C773A/C999A FAD domain crystals were soaked in a 10 mM NADP+ solution for 10 minutes., VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.40 Å R-free 0.256
4DQL Crystal structure of the FAD binding domain of cytochrome P450 BM3 in complex with NADP+ 提交 2012-02-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 657–1049（393 aa）片段：Cytochrome P450 BM3,UNP residues 657-1049	未记录	FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 SO4 SULFATE ION × 1 1PE PENTAETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；Sitting drops were prepared by adding 2 l of mother liquor to 2 l of 12 mg/ml FAD domain. Crystals were obtained using a well solution of 28% polyethylene glycol 8000, 0.3 M ammonium sulfate, cacodylate buffer pH 6.5. Crystals of dimensions 70 x 70 x 900 M formed after 4-7 days. In order to form a coenzyme complex with NADP+, C773A/C999A FAD domain crystals were soaked in a 10 mM NADP+ solution for 10 minutes., VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.15 Å R-free 0.226
4DQL Crystal structure of the FAD binding domain of cytochrome P450 BM3 in complex with NADP+ 提交 2012-02-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 657–1049（393 aa）片段：Cytochrome P450 BM3,UNP residues 657-1049	未记录	FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 SO4 SULFATE ION × 1 PG4 TETRAETHYLENE GLYCOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；Sitting drops were prepared by adding 2 l of mother liquor to 2 l of 12 mg/ml FAD domain. Crystals were obtained using a well solution of 28% polyethylene glycol 8000, 0.3 M ammonium sulfate, cacodylate buffer pH 6.5. Crystals of dimensions 70 x 70 x 900 M formed after 4-7 days. In order to form a coenzyme complex with NADP+, C773A/C999A FAD domain crystals were soaked in a 10 mM NADP+ solution for 10 minutes., VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.15 Å R-free 0.226
4DQL Crystal structure of the FAD binding domain of cytochrome P450 BM3 in complex with NADP+ 提交 2012-02-16	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 657–1049（393 aa）片段：Cytochrome P450 BM3,UNP residues 657-1049 链 B 657–1049（393 aa）片段：Cytochrome P450 BM3,UNP residues 657-1049	未记录	FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 2 SO4 SULFATE ION × 2 1PE PENTAETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；Sitting drops were prepared by adding 2 l of mother liquor to 2 l of 12 mg/ml FAD domain. Crystals were obtained using a well solution of 28% polyethylene glycol 8000, 0.3 M ammonium sulfate, cacodylate buffer pH 6.5. Crystals of dimensions 70 x 70 x 900 M formed after 4-7 days. In order to form a coenzyme complex with NADP+, C773A/C999A FAD domain crystals were soaked in a 10 mM NADP+ solution for 10 minutes., VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.15 Å R-free 0.226
4DTW cytochrome P450 BM3h-8C8 MRI sensor bound to serotonin 提交 2012-02-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–464（463 aa）片段：heme domain, residues 1-465	突变：L75P, Q189R, I263A, T268A, V286E	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SRO SEROTONIN × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；300 K；0.1 M Tris, pH 8.5, 0.2 M MgCl2, 22 % PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 1.80 Å R-free 0.254
4DTW cytochrome P450 BM3h-8C8 MRI sensor bound to serotonin 提交 2012-02-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–464（463 aa）片段：heme domain, residues 1-465	突变：L75P, Q189R, I263A, T268A, V286E	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SRO SEROTONIN × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；300 K；0.1 M Tris, pH 8.5, 0.2 M MgCl2, 22 % PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 1.80 Å R-free 0.254
4DTY cytochrome P450 BM3h-8C8 MRI sensor, no ligand 提交 2012-02-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–464（463 aa）片段：heme domain, residues 1-464	突变：L75P, Q189R, I263A, T268A, V286E	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；300 K；0.1 M Tris, pH 8.5, 0.2 M MgCl2, 22 % PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 1.45 Å R-free 0.212
4DTY cytochrome P450 BM3h-8C8 MRI sensor, no ligand 提交 2012-02-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–464（463 aa）片段：heme domain, residues 1-464	突变：L75P, Q189R, I263A, T268A, V286E	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；300 K；0.1 M Tris, pH 8.5, 0.2 M MgCl2, 22 % PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 1.45 Å R-free 0.212
4DTZ cytochrome P450 BM3h-8C8 MRI sensor bound to dopamine 提交 2012-02-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–464（463 aa）片段：heme domain, residues 1-464	突变：L75P, Q189R, I263A, T268A, V286E	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 LDP L-DOPAMINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.2；300 K；0.1 M Tris, pH 8.2, 0.2 M MgCl2, 20 % PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 1.55 Å R-free 0.222
4DTZ cytochrome P450 BM3h-8C8 MRI sensor bound to dopamine 提交 2012-02-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–464（463 aa）片段：heme domain, residues 1-464	突变：L75P, Q189R, I263A, T268A, V286E	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 LDP L-DOPAMINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.2；300 K；0.1 M Tris, pH 8.2, 0.2 M MgCl2, 20 % PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 1.55 Å R-free 0.222
4DU2 cytochrome P450 BM3h-B7 MRI sensor bound to dopamine 提交 2012-02-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–464（464 aa）片段：heme domain, residues 1-465	突变：L75P, F81L, Q189R, I263A, T268A, V286E, Y305H, I366V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 LDP L-DOPAMINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.2；300 K；0.1 M Tris, pH 8.2, 0.2 M MgCl2, 19 % PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 1.90 Å R-free 0.250
4DU2 cytochrome P450 BM3h-B7 MRI sensor bound to dopamine 提交 2012-02-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–464（464 aa）片段：heme domain, residues 1-465	突变：L75P, F81L, Q189R, I263A, T268A, V286E, Y305H, I366V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 LDP L-DOPAMINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.2；300 K；0.1 M Tris, pH 8.2, 0.2 M MgCl2, 19 % PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 1.90 Å R-free 0.250
4DUA cytochrome P450 BM3h-9D7 MRI sensor, no ligand 提交 2012-02-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–464（463 aa）片段：heme domain, residues 1-465	突变：I263A, T268S, A328G, T438V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；0.1 M sodium cacadylate, pH 5.5, 0.14 M Ca(Ac)2, 14 % PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 2.00 Å R-free 0.212
4DUA cytochrome P450 BM3h-9D7 MRI sensor, no ligand 提交 2012-02-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–464（463 aa）片段：heme domain, residues 1-465	突变：I263A, T268S, A328G, T438V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PGE TRIETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；0.1 M sodium cacadylate, pH 5.5, 0.14 M Ca(Ac)2, 14 % PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 2.00 Å R-free 0.212
4DUB cytochrome P450 BM3h-9D7 MRI sensor bound to dopamine 提交 2012-02-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–464（464 aa）片段：heme domain, residues 1-465	突变：I263A, T268S, A328G, T438V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 LDP L-DOPAMINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；0.1 M sodium cacadylate, pH 5.5, 0.14 M Ca(Ac)2, 14 % PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 1.70 Å R-free 0.204
4DUB cytochrome P450 BM3h-9D7 MRI sensor bound to dopamine 提交 2012-02-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–464（464 aa）片段：heme domain, residues 1-465	突变：I263A, T268S, A328G, T438V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 LDP L-DOPAMINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；0.1 M sodium cacadylate, pH 5.5, 0.14 M Ca(Ac)2, 14 % PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 1.70 Å R-free 0.204
4DUC cytochrome P450 BM3h-2G9 MRI sensor, no ligand 提交 2012-02-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–464（464 aa）片段：heme domain, residues 1-465	突变：R51C, F87L, T268A, T438L	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；0.1 M sodium cacadylate, pH 5.5, 0.14 M Ca(Ac)2, 14 % PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 1.92 Å R-free 0.226
4DUC cytochrome P450 BM3h-2G9 MRI sensor, no ligand 提交 2012-02-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–464（464 aa）片段：heme domain, residues 1-465	突变：R51C, F87L, T268A, T438L	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；0.1 M sodium cacadylate, pH 5.5, 0.14 M Ca(Ac)2, 14 % PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 1.92 Å R-free 0.226
4DUD cytochrome P450 BM3h-2G9C6 MRI sensor, no ligand 提交 2012-02-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–464（463 aa）片段：heme domain, residues 1-465	突变：R51C, F87L, T268A, L437Q, T438L	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；0.1 M sodium cacadylate, pH 5.5, 0.14 M Ca(Ac)2, 14 % PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 1.85 Å R-free 0.208
4DUD cytochrome P450 BM3h-2G9C6 MRI sensor, no ligand 提交 2012-02-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–464（463 aa）片段：heme domain, residues 1-465	突变：R51C, F87L, T268A, L437Q, T438L	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；0.1 M sodium cacadylate, pH 5.5, 0.14 M Ca(Ac)2, 14 % PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 1.85 Å R-free 0.208
4DUE cytochrome P450 BM3h-2G9C6 MRI sensor bound to serotonin 提交 2012-02-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–464（463 aa）片段：heme domain, residues 1-465	突变：R51C, F87L, T268A, L437Q, T438L	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SRO SEROTONIN × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；0.1 M sodium cacadylate, pH 5.5, 0.14 M Ca(Ac)2, 13 % PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 1.70 Å R-free 0.211
4DUE cytochrome P450 BM3h-2G9C6 MRI sensor bound to serotonin 提交 2012-02-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–464（463 aa）片段：heme domain, residues 1-465	突变：R51C, F87L, T268A, L437Q, T438L	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SRO SEROTONIN × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；0.1 M sodium cacadylate, pH 5.5, 0.14 M Ca(Ac)2, 13 % PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 1.70 Å R-free 0.211
4DUF cytochrome P450 BM3h-2G9 MRI sensor bound to serotonin 提交 2012-02-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–464（463 aa）片段：heme domain, residues 1-465	突变：R51C, F87L, T268A, T438L	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SRO SEROTONIN × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；0.1 M sodium cacadylate, pH 5.5, 0.14 M Ca(Ac)2, 14 % PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 1.80 Å R-free 0.203
4DUF cytochrome P450 BM3h-2G9 MRI sensor bound to serotonin 提交 2012-02-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–464（463 aa）片段：heme domain, residues 1-465	突变：R51C, F87L, T268A, T438L	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SRO SEROTONIN × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；0.1 M sodium cacadylate, pH 5.5, 0.14 M Ca(Ac)2, 14 % PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 1.80 Å R-free 0.203
4DUF cytochrome P450 BM3h-2G9 MRI sensor bound to serotonin 提交 2012-02-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 2–464（463 aa）片段：heme domain, residues 1-465	突变：R51C, F87L, T268A, T438L	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SRO SEROTONIN × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；0.1 M sodium cacadylate, pH 5.5, 0.14 M Ca(Ac)2, 14 % PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 1.80 Å R-free 0.203
4DUF cytochrome P450 BM3h-2G9 MRI sensor bound to serotonin 提交 2012-02-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 2–464（463 aa）片段：heme domain, residues 1-465	突变：R51C, F87L, T268A, T438L	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SRO SEROTONIN × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；0.1 M sodium cacadylate, pH 5.5, 0.14 M Ca(Ac)2, 14 % PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 1.80 Å R-free 0.203
4H23 Cytochrome P411BM3-CIS cyclopropanation catalyst 提交 2012-09-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–464（464 aa）片段：heme domain (UNP residues 1-464)	突变：V78A, F87V, P142S, T175I, A184V, S226R, H236Q, E252G, T268A, A290V, L353V, I366V, C400S, E442K	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.8；300 K；0.1 M sodium cacodylate, pH 5.8, 17% PEG3350, 0.14 M magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 3.30 Å R-free 0.265
4H23 Cytochrome P411BM3-CIS cyclopropanation catalyst 提交 2012-09-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–464（464 aa）片段：heme domain (UNP residues 1-464)	突变：V78A, F87V, P142S, T175I, A184V, S226R, H236Q, E252G, T268A, A290V, L353V, I366V, C400S, E442K	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.8；300 K；0.1 M sodium cacodylate, pH 5.8, 17% PEG3350, 0.14 M magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 3.30 Å R-free 0.265
4H24 Cytochrome P450BM3-CIS cyclopropanation catalyst 提交 2012-09-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–464（464 aa）片段：heme domain (UNP residues 1-464)	突变：V78A, F87V, P142S, T175I, A184V, S226R, H236Q, E252G, T268A, A290V, L353V, I366V, E442K	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.2；300 K；0.1 M Bis-Tris, pH 5.2, 18% PEG3350, 0.2 M sodium formate, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 2.50 Å R-free 0.247
4H24 Cytochrome P450BM3-CIS cyclopropanation catalyst 提交 2012-09-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–464（464 aa）片段：heme domain (UNP residues 1-464)	突变：V78A, F87V, P142S, T175I, A184V, S226R, H236Q, E252G, T268A, A290V, L353V, I366V, E442K	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.2；300 K；0.1 M Bis-Tris, pH 5.2, 18% PEG3350, 0.2 M sodium formate, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 2.50 Å R-free 0.247
4H24 Cytochrome P450BM3-CIS cyclopropanation catalyst 提交 2012-09-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 1–464（464 aa）片段：heme domain (UNP residues 1-464)	突变：V78A, F87V, P142S, T175I, A184V, S226R, H236Q, E252G, T268A, A290V, L353V, I366V, E442K	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.2；300 K；0.1 M Bis-Tris, pH 5.2, 18% PEG3350, 0.2 M sodium formate, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 2.50 Å R-free 0.247
4H24 Cytochrome P450BM3-CIS cyclopropanation catalyst 提交 2012-09-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 1–464（464 aa）片段：heme domain (UNP residues 1-464)	突变：V78A, F87V, P142S, T175I, A184V, S226R, H236Q, E252G, T268A, A290V, L353V, I366V, E442K	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.2；300 K；0.1 M Bis-Tris, pH 5.2, 18% PEG3350, 0.2 M sodium formate, VAPOR DIFFUSION, SITTING DROP, temperature 300K	分辨率 2.50 Å R-free 0.247
4HGF Crystal structure of P450 BM3 5F5K heme domain variant complexed with styrene 提交 2012-10-08	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）片段：Heme-binding domain	突变：F87A, A184K, T235A	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SYN ethenylbenzene × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；300 mM magnesium formate, 100 mM tris(hydroxymethyl)aminomethane (pH 8.5), 200 mM sodium malonate/110 mM potassium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.70 Å R-free 0.228
4HGF Crystal structure of P450 BM3 5F5K heme domain variant complexed with styrene 提交 2012-10-08	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）片段：Heme-binding domain	突变：F87A, A184K, T235A	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SYN ethenylbenzene × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；300 mM magnesium formate, 100 mM tris(hydroxymethyl)aminomethane (pH 8.5), 200 mM sodium malonate/110 mM potassium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.70 Å R-free 0.228
4HGG Crystal structure of P450 BM3 5F5R heme domain variant complexed with styrene 提交 2012-10-08	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）片段：Heme-binding domain	突变：F87A, A184R, T235A	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SYN ethenylbenzene × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；100-160 mM magnesium chloride, 100 mM 2-(N-morpholino)ethanesulfonic acid (pH 6.5), 10-20% PEG 3350/PEG 2000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.70 Å R-free 0.211
4HGG Crystal structure of P450 BM3 5F5R heme domain variant complexed with styrene 提交 2012-10-08	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）片段：Heme-binding domain	突变：F87A, A184R, T235A	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SYN ethenylbenzene × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；100-160 mM magnesium chloride, 100 mM 2-(N-morpholino)ethanesulfonic acid (pH 6.5), 10-20% PEG 3350/PEG 2000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.70 Å R-free 0.211
4HGH Crystal structure of P450 BM3 5F5 heme domain variant complexed with styrene (dataset I) 提交 2012-10-08	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）片段：Heme-binding domain	突变：F87A, T235A	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SYN ethenylbenzene × 1 GOL GLYCEROL × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；100-160 mM magnesium chloride, 100 mM 2-(N-morpholino)ethanesulfonic acid (pH 6.5), 10-20% PEG 3350/PEG 2000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.40 Å R-free 0.204
4HGH Crystal structure of P450 BM3 5F5 heme domain variant complexed with styrene (dataset I) 提交 2012-10-08	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）片段：Heme-binding domain	突变：F87A, T235A	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SYN ethenylbenzene × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；100-160 mM magnesium chloride, 100 mM 2-(N-morpholino)ethanesulfonic acid (pH 6.5), 10-20% PEG 3350/PEG 2000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.40 Å R-free 0.204
4HGI Crystal structure of P450 BM3 5F5 heme domain variant complexed with styrene (dataset II) 提交 2012-10-08	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）片段：Heme-binding domain	突变：F87A, T235A	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SYN ethenylbenzene × 1 GOL GLYCEROL × 3 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；100-160 mM magnesium chloride, 100 mM 2-(N-morpholino)ethanesulfonic acid (pH 6.5), 10-20% PEG 3350/PEG 2000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.50 Å R-free 0.199
4HGI Crystal structure of P450 BM3 5F5 heme domain variant complexed with styrene (dataset II) 提交 2012-10-08	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）片段：Heme-binding domain	突变：F87A, T235A	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SYN ethenylbenzene × 1 GOL GLYCEROL × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；100-160 mM magnesium chloride, 100 mM 2-(N-morpholino)ethanesulfonic acid (pH 6.5), 10-20% PEG 3350/PEG 2000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.50 Å R-free 0.199
4HGJ Crystal structure of P450 BM3 5F5 heme domain variant 提交 2012-10-08	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）片段：Heme-binding domain	突变：F87A, T235A	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 GOL GLYCEROL × 3 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；100-160 mM magnesium chloride, 100 mM 2-(N-morpholino)ethanesulfonic acid (pH 6.5), 10-20% PEG 3350/PEG 2000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.90 Å R-free 0.217
4HGJ Crystal structure of P450 BM3 5F5 heme domain variant 提交 2012-10-08	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）片段：Heme-binding domain	突变：F87A, T235A	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；100-160 mM magnesium chloride, 100 mM 2-(N-morpholino)ethanesulfonic acid (pH 6.5), 10-20% PEG 3350/PEG 2000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.90 Å R-free 0.217
4KEW structure of the A82F BM3 heme domain in complex with omeprazole 提交 2013-04-26	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）片段：P450 BM3 heme domain	突变：A82F	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 1C6 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；20% PEG 3000, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.89 Å R-free 0.237
4KEW structure of the A82F BM3 heme domain in complex with omeprazole 提交 2013-04-26	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）片段：P450 BM3 heme domain	突变：A82F	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 1C6 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；20% PEG 3000, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.89 Å R-free 0.237
4KEY Structure of P450 BM3 A82F F87V in complex with omeprazole 提交 2013-04-26	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）片段：P450 BM3 heme domain	突变：A82F F87V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 1C6 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；20% PEG 3000, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.05 Å R-free 0.235
4KEY Structure of P450 BM3 A82F F87V in complex with omeprazole 提交 2013-04-26	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）片段：P450 BM3 heme domain	突变：A82F F87V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 1C6 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；20% PEG 3000, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.05 Å R-free 0.235
4KF0 Structure of the A82F P450 BM3 heme domain 提交 2013-04-26	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–458（457 aa）片段：P450 BM3 heme domain	突变：A82F	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；20% PEG 3000, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.45 Å R-free 0.178
4KF0 Structure of the A82F P450 BM3 heme domain 提交 2013-04-26	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–458（457 aa）片段：P450 BM3 heme domain	突变：A82F	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；20% PEG 3000, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.45 Å R-free 0.178
4KF2 Structure of the P4509 BM3 A82F F87V heme domain 提交 2013-04-26	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–458（457 aa）片段：P450 BM3 heme domain	突变：A82F F87V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IMD IMIDAZOLE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；20% PEG 3000, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.82 Å R-free 0.225
4KF2 Structure of the P4509 BM3 A82F F87V heme domain 提交 2013-04-26	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–458（457 aa）片段：P450 BM3 heme domain	突变：A82F F87V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IMD IMIDAZOLE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；20% PEG 3000, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.82 Å R-free 0.225
4KPA Crystal structure of cytochrome P450 BM-3 in complex with N-palmitoylglycine (NPG) 提交 2013-05-13	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–471（471 aa）片段：UNP residues 1-471	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 140 N-PALMITOYLGLYCINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；12-21% w/v PEG3350, 150-225 mM magnesium chloride, 100 mM MES, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.00 Å R-free 0.230
4KPB Crystal structure of cytochrome P450 BM-3 R47E mutant 提交 2013-05-13	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–471（471 aa）片段：UNP residues 1-471	突变：R47E	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；150 mM magnesium chloride, 100 mM MES, pH 6.0, 14% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.10 Å R-free 0.232
4KPB Crystal structure of cytochrome P450 BM-3 R47E mutant 提交 2013-05-13	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–471（471 aa）片段：UNP residues 1-471	突变：R47E	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；150 mM magnesium chloride, 100 mM MES, pH 6.0, 14% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.10 Å R-free 0.232
4O4P Structure of P450 BM3 A82F F87V in complex with S-omeprazol 提交 2013-12-19	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）片段：BM3 heme domain	突变：A82F, F87V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 1C6 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；200mM MgCl2, 20% PEG 3500, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.83 Å R-free 0.221
4O4P Structure of P450 BM3 A82F F87V in complex with S-omeprazol 提交 2013-12-19	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）片段：BM3 heme domain	突变：A82F, F87V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 1C6 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；200mM MgCl2, 20% PEG 3500, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 1.83 Å R-free 0.221
4RSN Crystal structure of the E267V mutant of cytochrome P450 BM3 提交 2014-11-09	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）片段：heme domain, UNP residues 1-456	突变：R48L, Y52F, I402P, E268V, F88V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；2.0M Sodium Chloride 10% w/v PEG 6000, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 289K	分辨率 2.70 Å R-free 0.207
4RSN Crystal structure of the E267V mutant of cytochrome P450 BM3 提交 2014-11-09	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）片段：heme domain, UNP residues 1-456	突变：R48L, Y52F, I402P, E268V, F88V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；2.0M Sodium Chloride 10% w/v PEG 6000, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 289K	分辨率 2.70 Å R-free 0.207
4WG2 P411BM3-CIS T438S I263F regioselective C-H amination catalyst 提交 2014-09-17	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 3 PDB 声明：trimeric	链 A 2–464（463 aa）链 B 2–464（463 aa）链 C 2–464（463 aa）	突变：V78A, F87V, P142S, T175I, A184V, S226R, H236Q, E252G, I263F, T268A, A290V, L353V, I366V, C400S, T438S, E442K 突变：V78A, F87V, P142S, T175I, A184V, S226R, H236Q, E252G, I263F, T268A, A290V, L353V, I366V, C400S, T438S, E442K 突变：V78A, F87V, P142S, T175I, A184V, S226R, H236Q, E252G, I263F, T268A, A290V, L353V, I366V, C400S, T438S, E442K	SO4 SULFATE ION × 3 HEM PROTOPORPHYRIN IX CONTAINING FE × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；295 K；0.1 M Tris/HCl pH = 7, 2.0 M ammonium sulfate, 0.2 M lithium sulfate 12 mg/ml protein	分辨率 2.66 Å R-free 0.235
4ZF6 Cytochrome P450 pentamutant from BM3 with bound PEG 提交 2015-04-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–461（461 aa）片段：UNP residues 1-461	突变：R47L, F81I, F87V, L188Q, E267V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 1PE PENTAETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 1 NI NICKEL (II) ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；298 K；17.5mM NiCl2, 50mM PEG MME 2000	分辨率 2.77 Å R-free 0.257
4ZF8 Cytochrome P450 pentamutant from BM3 with bound Metyrapone 提交 2015-04-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–461（461 aa）片段：UNP residues 1-461	突变：R47L, F81I, F87V, L188Q, E267V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 MYT METYRAPONE × 1 NI NICKEL (II) ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；298 K；PEG MME 2000, NiCl2	分辨率 2.77 Å R-free 0.263
4ZFA Cytochrome P450 wild type from BM3 with bound PEG 提交 2015-04-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–461（461 aa）片段：UNP residues 1-461	突变：R47L, F81I, F87V, L188Q, E267V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 1PE PENTAETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 1 NI NICKEL (II) ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；298 K；17.5mM NiCl2, 50mM PEG MME 2000	分辨率 2.77 Å R-free 0.302
4ZFB Cytochrome P450 pentamutant from BM3 bound to Palmitic Acid 提交 2015-04-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–461（461 aa）片段：UNP residues 1-461	突变：R47L, F81I, F87V, L188Q, E267V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PLM PALMITIC ACID × 1 EDO 1,2-ETHANEDIOL × 1 NI NICKEL (II) ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；298 K；17.5mM NiCl2, 50mM PEG MME 2000	分辨率 2.84 Å R-free 0.274
5B2U Crystal Structure of P450BM3 with N-perfluorohexanoyl -L-tryptophan 提交 2016-02-03	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–456（456 aa）片段：UNP Residues 1-456 链 B 1–456（456 aa）片段：UNP Residues 1-456	突变：A328F 突变：A328F	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 W06 (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid × 2 DMS DIMETHYL SULFOXIDE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.9；293 K；75mM Tris-HCl (pH7.9), 50uM N-perfluorohexanoyl L-tryptophan, 0.5% (v/v) dimethyl sulfoxide, 100mM MgCl, 10% (w/v) PEG 8000.	分辨率 1.90 Å R-free 0.209
5B2V Crystal Structure of P450BM3 with N-perfluorohexanoyl-L-tryptophan 提交 2016-02-03	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–456（456 aa）片段：UNP Residues 1-456 链 B 1–456（456 aa）片段：UNP Residues 1-456	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 W06 (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,6-undecakis(fluoranyl)hexanoylamino]propanoic acid × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.9；293 K；75mM Tris-HCl (pH7.9), 50uM N-perfluorohexanoyl L-tryptophan, 0.5% (v/v) dimethyl sulfoxide, 100mM MgCl, 10.0% (w/v) PEG 8000	分辨率 2.30 Å R-free 0.255
5B2W Crystal Structure of P450BM3 with N-perfluorododecanoyl-L-tryptophan 提交 2016-02-03	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–456（456 aa）片段：UNP Residues 4-456 链 B 1–456（456 aa）片段：UNP Residues 4-456	突变：Wild-type 突变：Wild-type	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 W1Z (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosakis(fluoranyl)dodecanoylamino]propanoic acid × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.9；293 K；75mM Tris-HCl (pH7.9), 50uM N-perfluorododecanoylL-tryptophan, 0.5% (v/v) dimethyl sulfoxide, 105mM MgCl, 10.5% (w/v) PEG 8000	分辨率 1.65 Å R-free 0.208
5B2X Crystal Structure of P450BM3 mutant with N-perfluoroheptanoyl-L-tryptophan 提交 2016-02-03	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–456（456 aa）片段：UNP Residues 1-456 链 B 1–456（456 aa）片段：UNP Residues 1-456	突变：A328F 突变：A328F	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 W0T (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]propanoic acid × 1 DMS DIMETHYL SULFOXIDE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.9；293 K；75mM Tris-HCl (pH7.9), 50uM N-perfluoroheptanoyl L-tryptophan, 0.5% (v/v) dimethyl sulfoxide, 100mM MgCl, 10.0% (w/v) PEG 8000	分辨率 1.90 Å R-free 0.216
5B2Y Crystal Structure of P450BM3 with N-perfluorodecanoyl-L-tryptophan 提交 2016-02-07	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–456（456 aa）片段：UNP Residues1-456 链 B 1–456（456 aa）片段：UNP Residues1-456	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 W10 (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecakis(fluoranyl)decanoylamino]propanoic acid × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.9；293 K；75mM Tris-HCl (pH7.9), 50uM N-perfluorodecanoyl-L-tryptophan, 0.5% (v/v) dimethyl sulfoxide, 105mM MgCl, 10.5% (w/v) PEG 8000	分辨率 2.01 Å R-free 0.220
5DYP Crystal structure of Asp251Gly/Gln307His mutant of cytochrome P450 BM3 提交 2015-09-25	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 2–471（470 aa）链 C 2–471（470 aa）	突变：D251G, Q307H 突变：D251G, Q307H	HEM PROTOPORPHYRIN IX CONTAINING FE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；277 K；14% PEG 3350, 100 mM cacodylic acid pH 5.5-6.8, 100-160 mM MgCl2	分辨率 2.40 Å R-free 0.257
5DYZ Crystal structure of Asp251Gly/Gln307His mutant of cytochrome P450 BM3 in complex with N-palmitoylglycine 提交 2015-09-25	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 2–471（470 aa）链 C 2–471（470 aa）	突变：D251G, Q307H 突变：D251G, Q307H	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 140 N-PALMITOYLGLYCINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；277 K；14% PEG 3350, 100 mM cacodylic acid pH 5.5-6.8, 100-160 mM MgCl2	分辨率 1.97 Å R-free 0.219
5E78 Crystal structure of P450 BM3 heme domain variant complexed with Co(III)Sep 提交 2015-10-12	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 2–456（455 aa）片段：UNP residues 2-456 链 B 2–456（455 aa）片段：UNP residues 2-456	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 CO COBALT (II) ION × 1 5KK 1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；100-160 mM MgCl2, 100 mM MES (pH 6.5) 10-18% PEG 3350 and 5-10 mM Co(III)Sep	分辨率 2.00 Å R-free 0.212
5E7Y Crystal structure of P450 BM3 heme domain M7 variant 提交 2015-10-13	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 2–472（471 aa）链 B 2–472（471 aa）	突变：F87A V281G M354S 突变：F87A V281G M354S	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 GOL GLYCEROL × 8	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；100-160 mM MgCl2 100mM MES 6.5 10-18% PEG3350	分辨率 2.00 Å R-free 0.220
5E9Z Cytochrome P450 BM3 mutant M11 提交 2015-10-15	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–468（468 aa）片段：UNP residues 1-468	突变：R47L, E64G, F81I, F87V, E143G, L188Q, Y198C, E267V, H285Y, G415S	FE2 FE (II) ION × 1 PP9 PROTOPORPHYRIN IX × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；Prior to the crystallization setup, 3mM of DTT was added to the concentrated M11 protein sample. Crystals were grown using hanging drops mixing 0.5 uL of M11 with 0.5 uL of the reservoir solution containing 10-15% PEG 3350, 0.1M Tris pH8.0, 0.1-0.2 M MgCl2 or MgSO4, and 10 mM DTT	分辨率 2.23 Å R-free 0.225
5E9Z Cytochrome P450 BM3 mutant M11 提交 2015-10-15	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–468（468 aa）片段：UNP residues 1-468	突变：R47L, E64G, F81I, F87V, E143G, L188Q, Y198C, E267V, H285Y, G415S	FE2 FE (II) ION × 1 PP9 PROTOPORPHYRIN IX × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；Prior to the crystallization setup, 3mM of DTT was added to the concentrated M11 protein sample. Crystals were grown using hanging drops mixing 0.5 uL of M11 with 0.5 uL of the reservoir solution containing 10-15% PEG 3350, 0.1M Tris pH8.0, 0.1-0.2 M MgCl2 or MgSO4, and 10 mM DTT	分辨率 2.23 Å R-free 0.225
5E9Z Cytochrome P450 BM3 mutant M11 提交 2015-10-15	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 1–468（468 aa）片段：UNP residues 1-468	突变：R47L, E64G, F81I, F87V, E143G, L188Q, Y198C, E267V, H285Y, G415S	FE2 FE (II) ION × 1 PP9 PROTOPORPHYRIN IX × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；Prior to the crystallization setup, 3mM of DTT was added to the concentrated M11 protein sample. Crystals were grown using hanging drops mixing 0.5 uL of M11 with 0.5 uL of the reservoir solution containing 10-15% PEG 3350, 0.1M Tris pH8.0, 0.1-0.2 M MgCl2 or MgSO4, and 10 mM DTT	分辨率 2.23 Å R-free 0.225
5E9Z Cytochrome P450 BM3 mutant M11 提交 2015-10-15	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 1–468（468 aa）片段：UNP residues 1-468	突变：R47L, E64G, F81I, F87V, E143G, L188Q, Y198C, E267V, H285Y, G415S	FE2 FE (II) ION × 1 PP9 PROTOPORPHYRIN IX × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；Prior to the crystallization setup, 3mM of DTT was added to the concentrated M11 protein sample. Crystals were grown using hanging drops mixing 0.5 uL of M11 with 0.5 uL of the reservoir solution containing 10-15% PEG 3350, 0.1M Tris pH8.0, 0.1-0.2 M MgCl2 or MgSO4, and 10 mM DTT	分辨率 2.23 Å R-free 0.225
5JQ2 Crystal structure of the Ru(bpy)2PhenA functionalized P450 BM3 L407C heme domain mutant in complex with N-palmitoylglycine 提交 2016-05-04	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 2–464（463 aa）链 B 2–464（463 aa）	突变：L407C 突变：L407C	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 140 N-PALMITOYLGLYCINE × 2 RU8 bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[2-iodo-N-(1,10-phenanthrolin-5-yl-kappa~2~N~1~,N~10~)acetamide]ruthenium(2+) × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；150 mM MgCl2, 125 mM Na-MOPS, 20% PEG 3350, cryo: 30% glycerol	分辨率 2.00 Å R-free 0.218
5JQU Crystal structure of Cytochrome P450 BM3 heme domain G265F/T269V/L272W/L322I/F405M/A406S (WIVS-FM) variant with iron(III) deuteroporphyrin IX bound 提交 2016-05-05	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 8 PDB 声明：octameric	链 A 2–464（463 aa）片段：heme domain, residues 2-456 链 B 2–464（463 aa）片段：heme domain, residues 2-456 链 C 2–464（463 aa）片段：heme domain, residues 2-456 链 D 2–464（463 aa）片段：heme domain, residues 2-456 链 E 2–464（463 aa）片段：heme domain, residues 2-456 链 F 2–464（463 aa）片段：heme domain, residues 2-456 链 G 2–464（463 aa）片段：heme domain, residues 2-456 链 H 2–464（463 aa）片段：heme domain, residues 2-456	突变：G265F,T269V,L272W,L322I,F405M,A406S 突变：G265F,T269V,L272W,L322I,F405M,A406S 突变：G265F,T269V,L272W,L322I,F405M,A406S 突变：G265F,T269V,L272W,L322I,F405M,A406S 突变：G265F,T269V,L272W,L322I,F405M,A406S 突变：G265F,T269V,L272W,L322I,F405M,A406S 突变：G265F,T269V,L272W,L322I,F405M,A406S 突变：G265F,T269V,L272W,L322I,F405M,A406S	FDE FE(III) DEUTEROPORPHYRIN IX × 8	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；298 K；0.25 M MgCl2, 17% PEG3350	分辨率 2.16 Å R-free 0.334
5JQV Crystal structure of Cytochrome P450 BM3 heme domain T269V/L272W/L322I/A406S (WIVS) variant with iron(III) deuteroporphyrin IX bound 提交 2016-05-05	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 8 PDB 声明：octameric	链 A 2–464（463 aa）片段：heme domain, residues 2-456 链 B 2–464（463 aa）片段：heme domain, residues 2-456 链 C 2–464（463 aa）片段：heme domain, residues 2-456 链 D 2–464（463 aa）片段：heme domain, residues 2-456 链 E 2–464（463 aa）片段：heme domain, residues 2-456 链 F 2–464（463 aa）片段：heme domain, residues 2-456 链 G 2–464（463 aa）片段：heme domain, residues 2-456 链 H 2–464（463 aa）片段：heme domain, residues 2-456	突变：T269V,L272W,L322I,A406S 突变：T269V,L272W,L322I,A406S 突变：T269V,L272W,L322I,A406S 突变：T269V,L272W,L322I,A406S 突变：T269V,L272W,L322I,A406S 突变：T269V,L272W,L322I,A406S 突变：T269V,L272W,L322I,A406S 突变：T269V,L272W,L322I,A406S	FDE FE(III) DEUTEROPORPHYRIN IX × 8	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；298 K；0.25 M MgCl2, 17% PEG3350	分辨率 2.34 Å R-free 0.284
5JTD Crystal structure of the Ru(bpy)2PhenA functionalized P450 BM3 L407C heme domain mutant in complex with DMSO. 提交 2016-05-09	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 2–464（463 aa）链 B 2–464（463 aa）	突变：L407C 突变：L407C	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 DMS DIMETHYL SULFOXIDE × 4 RU8 bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[2-iodo-N-(1,10-phenanthrolin-5-yl-kappa~2~N~1~,N~10~)acetamide]ruthenium(2+) × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；150 mM MgCl2, 125 mM Na-MOPS, 20% PEG 3350, cryo: 30% glycerol	分辨率 1.50 Å R-free 0.198
5XHJ Crystal Structure of P450BM3 with 5-Cyclohexylvaleroyl-L-Tryptophan 提交 2017-04-21	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）片段：Residues 3-455	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 TRP TRYPTOPHAN × 1 87X 5-cyclohexylpentanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.95；293 K；50mM Tris-HCl (pH 7.95), 0.5% (v/v) dimethyl sulfoxide, 0.1mM 5-Cyclohexylvaleroyl-L-Tryptophan, 130mM MgCl2, 8.5% (w/v) PEG 8000	分辨率 2.00 Å R-free 0.206
5XHJ Crystal Structure of P450BM3 with 5-Cyclohexylvaleroyl-L-Tryptophan 提交 2017-04-21	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）片段：Residues 3-455	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 TRP TRYPTOPHAN × 1 87X 5-cyclohexylpentanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.95；293 K；50mM Tris-HCl (pH 7.95), 0.5% (v/v) dimethyl sulfoxide, 0.1mM 5-Cyclohexylvaleroyl-L-Tryptophan, 130mM MgCl2, 8.5% (w/v) PEG 8000	分辨率 2.00 Å R-free 0.206
5ZIS Crystal structure of Mn-ProtoporphyrinIX-reconstituted P450BM3 提交 2018-03-17	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 4 PDB 声明：tetrameric	链 A 2–456（455 aa）链 B 2–456（455 aa）链 C 2–456（455 aa）链 D 2–456（455 aa）	未记录	MNH MANGANESE PROTOPORPHYRIN IX × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6；297 K；0.1 M magnesium chloride, 12% PEG 3350, 0.1 M MES buffer (pH 6.0)	分辨率 3.10 Å R-free 0.290
6H1O Structure of the BM3 heme domain in complex with voriconazole 提交 2018-07-12	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–458（457 aa）	突变：A82F F87V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 VOR Voriconazole × 1 PO4 PHOSPHATE ION × 3 GOL GLYCEROL × 3 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；277 K；PEG, 5mM ligand (dissolved in 100% DMSO), 25mM potassium phosphate	分辨率 1.73 Å R-free 0.200
6H1O Structure of the BM3 heme domain in complex with voriconazole 提交 2018-07-12	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–458（457 aa）	突变：A82F F87V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 VOR Voriconazole × 1 PO4 PHOSPHATE ION × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；277 K；PEG, 5mM ligand (dissolved in 100% DMSO), 25mM potassium phosphate	分辨率 1.73 Å R-free 0.200
6H1S Structure of the BM3 heme domain in complex with fluconazole 提交 2018-07-12	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–458（457 aa）	突变：A82F F87V	TPF 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PO4 PHOSPHATE ION × 4 EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；277 K；PEG, 5mM ligand (dissolved in 100% DMSO), 25mM potassium phosphate pH 7.0	分辨率 1.95 Å R-free 0.214
6H1S Structure of the BM3 heme domain in complex with fluconazole 提交 2018-07-12	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–458（457 aa）	突变：A82F F87V	TPF 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PO4 PHOSPHATE ION × 1 EDO 1,2-ETHANEDIOL × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；277 K；PEG, 5mM ligand (dissolved in 100% DMSO), 25mM potassium phosphate pH 7.0	分辨率 1.95 Å R-free 0.214
6IAO Structure of Cytochrome P450 BM3 M11 mutant in complex with DTT at resolution 2.16A 提交 2018-11-27	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–473（473 aa）链 B 1–473（473 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 3 CL CHLORIDE ION × 11 GOL GLYCEROL × 3 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；279 K；18% PEG4000, 0.25 M Magnesium chloride, 0.1 M TRIS pH 8.0, 10 mM DTT	分辨率 2.16 Å R-free 0.202
6IAO Structure of Cytochrome P450 BM3 M11 mutant in complex with DTT at resolution 2.16A 提交 2018-11-27	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 C 1–473（473 aa）链 D 1–473（473 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 2 CL CHLORIDE ION × 9 GOL GLYCEROL × 1 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；279 K；18% PEG4000, 0.25 M Magnesium chloride, 0.1 M TRIS pH 8.0, 10 mM DTT	分辨率 2.16 Å R-free 0.202
6JLV Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan 提交 2019-03-07	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 WAA (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid × 1 GOL GLYCEROL × 11 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG8000, Magnesium Chloride, Tris-HCl, 0.5% DMSO, 125 uM N-Abietoyl-L-Tryptophan	分辨率 1.22 Å R-free 0.156
6JLV Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan 提交 2019-03-07	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 WAA (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid × 1 GOL GLYCEROL × 9 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG8000, Magnesium Chloride, Tris-HCl, 0.5% DMSO, 125 uM N-Abietoyl-L-Tryptophan	分辨率 1.22 Å R-free 0.156
6JMH Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan 提交 2019-03-10	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	MI9 Oxomolybdenum Mesoporphyrin IX × 1 WAA (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid × 1 GOL GLYCEROL × 11 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG8000, Magnesium Chloride, Tris-HCl, 0.5% DMSO, 125 uM N-Abietoyl-L-Tryptophan	分辨率 1.46 Å R-free 0.168
6JMH Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan 提交 2019-03-10	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	MI9 Oxomolybdenum Mesoporphyrin IX × 1 WAA (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid × 1 GOL GLYCEROL × 11	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG8000, Magnesium Chloride, Tris-HCl, 0.5% DMSO, 125 uM N-Abietoyl-L-Tryptophan	分辨率 1.46 Å R-free 0.168
6JMW Structure of the Chromium Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan 提交 2019-03-13	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–457（457 aa）	未记录	BW9 Chromium Protoporphyrin IX × 1 WAA (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid × 1 GOL GLYCEROL × 7	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG8000, Magnesium Chloride, Tris-HCl, 0.5% DMSO, 125 uM N-Abietoyl-L-Tryptophan	分辨率 1.85 Å R-free 0.221
6JMW Structure of the Chromium Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan 提交 2019-03-13	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–457（457 aa）	未记录	BW9 Chromium Protoporphyrin IX × 1 WAA (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG8000, Magnesium Chloride, Tris-HCl, 0.5% DMSO, 125 uM N-Abietoyl-L-Tryptophan	分辨率 1.85 Å R-free 0.221
6JO1 Structure of the CYP102A1 Haem Domain with N-(S)-Ibuprofenoyl-L-Phenylalanine 提交 2019-03-19	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 BWX (2S)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG8000, Magnesium Chloride, Tris-HCl, 0.5% DMSO, 150 uM N-(S)-Ibuprofenoyl-L-Phenylalanine	分辨率 2.10 Å R-free 0.241
6JO1 Structure of the CYP102A1 Haem Domain with N-(S)-Ibuprofenoyl-L-Phenylalanine 提交 2019-03-19	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 BWX (2S)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]-3-phenyl-propanoic acid × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG8000, Magnesium Chloride, Tris-HCl, 0.5% DMSO, 150 uM N-(S)-Ibuprofenoyl-L-Phenylalanine	分辨率 2.10 Å R-free 0.241
6JS8 Structure of the CYP102A1 Haem Domain with N-Dehydroabietoyl-L-Tryptophan 提交 2019-04-07	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 DMS DIMETHYL SULFOXIDE × 1 C5R (2S)-2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid × 1 GOL GLYCEROL × 9	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；PEG8000, Magnesium Chloride, Tris-HCl, 0.5% DMSO, 125 uM N-Dehydroabietoyl-L-Tryptophan	分辨率 1.36 Å R-free 0.159
6JS8 Structure of the CYP102A1 Haem Domain with N-Dehydroabietoyl-L-Tryptophan 提交 2019-04-07	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 DMS DIMETHYL SULFOXIDE × 1 C5R (2S)-2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid × 1 GOL GLYCEROL × 11	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；PEG8000, Magnesium Chloride, Tris-HCl, 0.5% DMSO, 125 uM N-Dehydroabietoyl-L-Tryptophan	分辨率 1.36 Å R-free 0.159
6JVC Structure of the Cobalt Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan 提交 2019-04-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	WAA (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid × 1 GOL GLYCEROL × 10 COH PROTOPORPHYRIN IX CONTAINING CO × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG8000, Magnesium Chloride, Tris-HCl, 0.5% DMSO, 125 uM N-Abietoyl-L-Tryptophan	分辨率 1.75 Å R-free 0.220
6JVC Structure of the Cobalt Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan 提交 2019-04-16	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 1–456（456 aa）	未记录	WAA (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid × 1 GOL GLYCEROL × 12 COH PROTOPORPHYRIN IX CONTAINING CO × 1 DMS DIMETHYL SULFOXIDE × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG8000, Magnesium Chloride, Tris-HCl, 0.5% DMSO, 125 uM N-Abietoyl-L-Tryptophan	分辨率 1.75 Å R-free 0.220
6JZS Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan in complex with Pyridine 提交 2019-05-03	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–457（457 aa）	未记录	0PY pyridine × 1 WAA (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid × 1 MNH MANGANESE PROTOPORPHYRIN IX × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 125 uM N-Abietoyl-L-Tryptophan, 100 uM Pyridine	分辨率 1.68 Å R-free 0.209
6JZS Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan in complex with Pyridine 提交 2019-05-03	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 1–457（457 aa）	未记录	0PY pyridine × 2 WAA (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid × 1 MNH MANGANESE PROTOPORPHYRIN IX × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 125 uM N-Abietoyl-L-Tryptophan, 100 uM Pyridine	分辨率 1.68 Å R-free 0.209
6K3Q Crystal Structure of P450BM3 with N-(3-cyclohexylpropanoyl)-L-prolyl-L-phenylalanine 提交 2019-05-21	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 DMS DIMETHYL SULFOXIDE × 1 D0F (2S)-2-[[(2S)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.9；293 K；Tris-HCl, 0.1% (v/v) dimethyl sulfoxide, 0.1mM (3-cyclohexylpropanoyl)-L-prolyl-L-phenylalanine, MgCl, PEG 8000	分辨率 2.06 Å R-free 0.265
6K3Q Crystal Structure of P450BM3 with N-(3-cyclohexylpropanoyl)-L-prolyl-L-phenylalanine 提交 2019-05-21	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 DMS DIMETHYL SULFOXIDE × 1 D0F (2S)-2-[[(2S)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.9；293 K；Tris-HCl, 0.1% (v/v) dimethyl sulfoxide, 0.1mM (3-cyclohexylpropanoyl)-L-prolyl-L-phenylalanine, MgCl, PEG 8000	分辨率 2.06 Å R-free 0.265
6K58 Structure of the CYP102A1 Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine 提交 2019-05-28	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 DMS DIMETHYL SULFOXIDE × 1 D0L (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1 GOL GLYCEROL × 10	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；277 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5% DMSO, 200 uM N-Enanthyl-L-Prolyl-L-Phenylalanine	分辨率 1.41 Å R-free 0.178
6K58 Structure of the CYP102A1 Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine 提交 2019-05-28	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 DMS DIMETHYL SULFOXIDE × 1 D0L (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1 GOL GLYCEROL × 5	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；277 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5% DMSO, 200 uM N-Enanthyl-L-Prolyl-L-Phenylalanine	分辨率 1.41 Å R-free 0.178
6K9S Structure of the Carbonylruthenium Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan 提交 2019-06-17	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	RUR [3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]ruthenium × 1 CMO CARBON MONOXIDE × 1 GOL GLYCEROL × 6 WAA (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl. 0.5% DMSO, 125 uM N-Abietoyl-L-Tryptophan	分辨率 1.55 Å R-free 0.205
6K9S Structure of the Carbonylruthenium Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan 提交 2019-06-17	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	RUR [3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]ruthenium × 1 CMO CARBON MONOXIDE × 1 GOL GLYCEROL × 7 WAA (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl. 0.5% DMSO, 125 uM N-Abietoyl-L-Tryptophan	分辨率 1.55 Å R-free 0.205
6L1A Crystal Structure of P450BM3 with N-enanthoyl-L-prolyl-L-phenylalanine 提交 2019-09-28	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 3 OPF (2S)-2-[[(2S)-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.9；293 K；Tris-HCl, 0.1% (v/v) dimethyl sulfoxide, 0.1mM N-heptanoyl-L-prolyl-L-phenylalanine, MgCl, PEG 8000	分辨率 1.84 Å R-free 0.226
6L1A Crystal Structure of P450BM3 with N-enanthoyl-L-prolyl-L-phenylalanine 提交 2019-09-28	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1 OPF (2S)-2-[[(2S)-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.9；293 K；Tris-HCl, 0.1% (v/v) dimethyl sulfoxide, 0.1mM N-heptanoyl-L-prolyl-L-phenylalanine, MgCl, PEG 8000	分辨率 1.84 Å R-free 0.226
6L1B Crystal Structure of P450BM3 with N-(3-cyclopentylpropanoyl)-L-pipecolyl-L-phenylalanine 提交 2019-09-28	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 5 YIC (2S)-2-[[(2S)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.9；293 K；Tris-HCl, 0.1% (v/v) dimethyl sulfoxide, 0.1mM N-(3-cyclopentylpropanoyl)-L-pipecolyl-L-phenylalanine, MgCl, PEG 8000	分辨率 1.74 Å R-free 0.203
6L1B Crystal Structure of P450BM3 with N-(3-cyclopentylpropanoyl)-L-pipecolyl-L-phenylalanine 提交 2019-09-28	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 4 YIC (2S)-2-[[(2S)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.9；293 K；Tris-HCl, 0.1% (v/v) dimethyl sulfoxide, 0.1mM N-(3-cyclopentylpropanoyl)-L-pipecolyl-L-phenylalanine, MgCl, PEG 8000	分辨率 1.74 Å R-free 0.203
6LY4 The crystal structure of the BM3 mutant LG-23 in complex with testosterone 提交 2020-02-13	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 3–457（455 aa）	突变：R47W/S72W/F77Y/V78L/F81I/A82L/F87G/T88S/M17T/M185Q/L188Q/I209T/A328G/A330W	TES TESTOSTERONE × 1 IMD IMIDAZOLE × 1 EDO 1,2-ETHANEDIOL × 7 HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；289.15 K；10% w/v PEG 20000, 20% v/v PEG MME 550, 0.03 M of each ethylene glycol (0.3M diethyleneglycol, 0.3M triethyleneglycol, 0.3M tetraethyleneglycol, 0.3 M pentaethyleneglycol), 0.1M MES/imidazole pH 6.5	分辨率 1.68 Å R-free 0.189
7CKN Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine in complex with Isopropylamine 提交 2020-07-17	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 G56 (2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid × 1 G4O propan-2-amine × 1 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 200 uM N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine, 500 uM Isopropylamine	分辨率 1.55 Å R-free 0.199
7CKN Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine in complex with Isopropylamine 提交 2020-07-17	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 G56 (2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid × 1 G4O propan-2-amine × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 200 uM N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine, 500 uM Isopropylamine	分辨率 1.55 Å R-free 0.199
7CON Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine in complex with n-Propylamine 提交 2020-08-04	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 3CN 3-AMINOPROPANE × 1 G56 (2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid × 1 GOL GLYCEROL × 10	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 200 uM N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine, 500 uM n-Propylamine	分辨率 1.46 Å R-free 0.188
7CON Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine in complex with n-Propylamine 提交 2020-08-04	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 3CN 3-AMINOPROPANE × 1 G56 (2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid × 1 GOL GLYCEROL × 9	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 200 uM N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine, 500 uM n-Propylamine	分辨率 1.46 Å R-free 0.188
7COO Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with Cyclohexylamine 提交 2020-08-04	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAI CYCLOHEXYLAMMONIUM ION × 1 ZP6 (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid × 1 GOL GLYCEROL × 5	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 200 uM N-Carboxybenzyl-L-Prolyl-L-Phenylalanine, 500 uM Cyclohexylamine	分辨率 1.49 Å R-free 0.178
7COO Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with Cyclohexylamine 提交 2020-08-04	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAI CYCLOHEXYLAMMONIUM ION × 1 ZP6 (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 200 uM N-Carboxybenzyl-L-Prolyl-L-Phenylalanine, 500 uM Cyclohexylamine	分辨率 1.49 Å R-free 0.178
7CP8 Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Indanylamine 提交 2020-08-06	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 RM1 N-METHYL-1(R)-AMINOINDAN × 1 GKX (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid × 1 GOL GLYCEROL × 10	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 200 uM N-(5-Cyclohexyl)valeroyl-L-phenylalanine, 1 mM (R)-1-Indanylamine	分辨率 1.68 Å R-free 0.213
7CP8 Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Indanylamine 提交 2020-08-06	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 RM1 N-METHYL-1(R)-AMINOINDAN × 1 GKX (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid × 1 GOL GLYCEROL × 11	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 200 uM N-(5-Cyclohexyl)valeroyl-L-phenylalanine, 1 mM (R)-1-Indanylamine	分辨率 1.68 Å R-free 0.213
7CVR Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Tetralylamine 提交 2020-08-26	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ZP6 (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid × 1 STQ (1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 200 uM N-Carboxybenzyl-L-Prolyl-L-Phenylalanine, 1 mM Cyclohexylamine	分辨率 1.60 Å R-free 0.238
7CVR Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Tetralylamine 提交 2020-08-26	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ZP6 (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid × 1 STQ (1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine × 1 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 200 uM N-Carboxybenzyl-L-Prolyl-L-Phenylalanine, 1 mM Cyclohexylamine	分辨率 1.60 Å R-free 0.238
7CX6 Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-(+)-1-Phenylethylamine 提交 2020-09-01	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 GKX (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid × 1 QSC (1R)-1-phenylethanamine × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 200 uM N-(5-Cyclohexyl)valeroyl-L-phenylalanine, 1 mM (R)-(+)-1-Phenylethylamine	分辨率 1.69 Å R-free 0.198
7CX6 Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-(+)-1-Phenylethylamine 提交 2020-09-01	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 GKX (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid × 1 QSC (1R)-1-phenylethanamine × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 200 uM N-(5-Cyclohexyl)valeroyl-L-phenylalanine, 1 mM (R)-(+)-1-Phenylethylamine	分辨率 1.69 Å R-free 0.198
7CX8 Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Tetralylamine 提交 2020-09-01	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 GKX (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid × 1 1Y5 (1R)-1,2,3,4-tetrahydronaphthalen-1-amine × 1 STQ (1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine × 1 GOL GLYCEROL × 8	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 200 uM N-(5-Cyclohexyl)valeroyl-L-phenylalanine, 1 mM (R)-1-Tetralylamine	分辨率 1.70 Å R-free 0.217
7CX8 Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Tetralylamine 提交 2020-09-01	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 GKX (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid × 1 1Y5 (1R)-1,2,3,4-tetrahydronaphthalen-1-amine × 1 STQ (1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine × 1 GOL GLYCEROL × 7	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 200 uM N-(5-Cyclohexyl)valeroyl-L-phenylalanine, 1 mM (R)-1-Tetralylamine	分辨率 1.70 Å R-free 0.217
7CZI Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine 提交 2020-09-08	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 G56 (2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 125 uM N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine	分辨率 1.64 Å R-free 0.215
7CZI Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine 提交 2020-09-08	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 G56 (2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 125 uM N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine	分辨率 1.64 Å R-free 0.215
7D0T Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Indanylamine 提交 2020-09-11	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ZP6 (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid × 1 GQR (1~{S})-2,3-dihydro-1~{H}-inden-1-amine × 1 GOL GLYCEROL × 5	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 200 uM N-Carboxybenzyl-L-Prolyl-L-Phenylalanine, 1 mM (S)-1-Indanylamine	分辨率 1.74 Å R-free 0.226
7D0T Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-1-Indanylamine 提交 2020-09-11	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ZP6 (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid × 1 GQR (1~{S})-2,3-dihydro-1~{H}-inden-1-amine × 1 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 200 uM N-Carboxybenzyl-L-Prolyl-L-Phenylalanine, 1 mM (S)-1-Indanylamine	分辨率 1.74 Å R-free 0.226
7D0U Structure of the CYP102A1 Haem Domain with N-enanthyl-L-prolyl-L-phenylalanine in complex with Ethylamine 提交 2020-09-11	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 D0L (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1 NEH ETHANAMINE × 1 GOL GLYCEROL × 5	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 200 uM N-enanthyl-L-prolyl-L-phenylalanine, 0.5 mM Ethylamine	分辨率 1.68 Å R-free 0.214
7D0U Structure of the CYP102A1 Haem Domain with N-enanthyl-L-prolyl-L-phenylalanine in complex with Ethylamine 提交 2020-09-11	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 D0L (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1 NEH ETHANAMINE × 1 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 200 uM N-enanthyl-L-prolyl-L-phenylalanine, 0.5 mM Ethylamine	分辨率 1.68 Å R-free 0.214
7D1F Structure of the CYP102A1 Haem Domain with N-enanthyl-L-prolyl-L-phenylalanine in complex with Methylamine 提交 2020-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 D0L (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1 NME METHYLAMINE × 1 GOL GLYCEROL × 9	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 200 uM N-Enanthyl-L-prolyl-L-phenylalanine, 500 uM Methylamine	分辨率 1.45 Å R-free 0.174
7D1F Structure of the CYP102A1 Haem Domain with N-enanthyl-L-prolyl-L-phenylalanine in complex with Methylamine 提交 2020-09-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 D0L (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1 NME METHYLAMINE × 1 GOL GLYCEROL × 11	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 200 uM N-Enanthyl-L-prolyl-L-phenylalanine, 500 uM Methylamine	分辨率 1.45 Å R-free 0.174
7E46 Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-(-)-1-Phenylethylamine 提交 2021-02-10	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ZP6 (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid × 1 98B (1S)-1-phenylethanamine × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 200 uM N-Carboxybenzyl-L-Prolyl-L-Phenylalanine, 1 mM (S)-(-)-1-Phenylethylamine	分辨率 1.91 Å R-free 0.271
7E46 Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with (S)-(-)-1-Phenylethylamine 提交 2021-02-10	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ZP6 (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid × 1 98B (1S)-1-phenylethanamine × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG 8000, Magnesium Chloride, Tris-HCl, 0.5 % DMSO, 200 uM N-Carboxybenzyl-L-Prolyl-L-Phenylalanine, 1 mM (S)-(-)-1-Phenylethylamine	分辨率 1.91 Å R-free 0.271
7EGN Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine 提交 2021-03-24	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–456（456 aa）链 B 1–456（456 aa）	突变：F87A 突变：F87A	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 IC6 (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid × 2 HOA HYDROXYAMINE × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.1M Tris, 0.2M MgCl2, 27% PEG 3350	分辨率 2.70 Å R-free 0.245
7W97 Crystal Structure of the CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine 提交 2021-12-09	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–456（456 aa）链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 8PD (2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid × 2 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；9%(w/v) PEG8000, 59 mM Magnesium Chloride, 74 mM Tris-HCl, 128 uM N-Hexadecanoyl-L-Homoserine, 1.3%(v/v) Methanol	分辨率 1.40 Å R-free 0.177
7W9D Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine 提交 2021-12-09	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–456（456 aa）链 B 1–456（456 aa）	未记录	MI9 Oxomolybdenum Mesoporphyrin IX × 2 8PD (2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid × 2 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；277 K；7.8%(w/v) PEG8000, 60 mM Magnesium Chloride, 74 mM Tris-HCl, 150 uM N-Hexadecanoyl-L-Homoserine, 1.5%(v/v) Methanol	分辨率 1.55 Å R-free 0.186
7W9J Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone 提交 2021-12-09	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–456（456 aa）链 B 1–456（456 aa）	未记录	MI9 Oxomolybdenum Mesoporphyrin IX × 2 EWM N-[(3S)-2-oxooxolan-3-yl]dodecanamide × 2 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；277 K；8.5%(w/v)PEG8000, 60 mM Magnesium Chloride, 75 mM Tris-HCl, 250 uM N-Dodecanoyl-L-Homoserine Lactone, 1%(v/v) Methanol	分辨率 1.75 Å R-free 0.210
7WY1 Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styerene 提交 2022-02-15	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	MI9 Oxomolybdenum Mesoporphyrin IX × 1 D0L (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1 SYN ethenylbenzene × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG8000, Magnesium Chloride, Tris-HCl	分辨率 1.60 Å R-free 0.183
7WY1 Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styerene 提交 2022-02-15	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	MI9 Oxomolybdenum Mesoporphyrin IX × 1 D0L (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1 SYN ethenylbenzene × 1 SOR sorbitol × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；293 K；PEG8000, Magnesium Chloride, Tris-HCl	分辨率 1.60 Å R-free 0.183
7XZK Crystal Structure of P450BM3 with N-(3-cyclohexylpropanoyl)-L-pipecolyl-L-phenylalanine 提交 2022-06-02	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 I8F (2~{S})-2-[[(2~{S})-1-(3-cyclohexylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.9；293 K；Tris-HCl, 0.1% (v/v) methanol, 0.1mM (3-cyclohexylpropanoyl)-L-pipecolyl-L-phenylalanine, MgCl, PEG 8000	分辨率 1.54 Å R-free 0.242
7XZK Crystal Structure of P450BM3 with N-(3-cyclohexylpropanoyl)-L-pipecolyl-L-phenylalanine 提交 2022-06-02	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 I8F (2~{S})-2-[[(2~{S})-1-(3-cyclohexylpropanoyl)piperidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.9；293 K；Tris-HCl, 0.1% (v/v) methanol, 0.1mM (3-cyclohexylpropanoyl)-L-pipecolyl-L-phenylalanine, MgCl, PEG 8000	分辨率 1.54 Å R-free 0.242
7Y0P Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82T/I263L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, p-cresol and hydroxylamine 提交 2022-06-06	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–456（456 aa）链 B 1–456（456 aa）	突变：A82T, F87A, I263L, T268V 突变：A82T, F87A, I263L, T268V	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 HOA HYDROXYAMINE × 2 IC6 (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid × 4 PCR P-CRESOL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.38M MgCl2, 0.1M Tris 8.5, 12-18% PEG3350	分辨率 1.99 Å R-free 0.203
7Y0Q Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82T/I263L in complex with p-toluidine 提交 2022-06-06	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–456（456 aa）链 B 1–456（456 aa）	突变：A82T, F87A, I263L, T268V 突变：A82T, F87A, I263L, T268V	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 4MN 4-METHYLANILINE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.38M MgCl2, 0.1M Tris 8.5, 12-18% PEG3350	分辨率 2.31 Å R-free 0.262
7Y0R Crystal structure of the P450 BM3 heme domain mutant F87L/V78S/A184V in complex with N-imidazolyl-hexanoyl-L-phenylalanine, p-toluidine and hydroxylamine 提交 2022-06-06	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–456（456 aa）链 B 1–456（456 aa）	突变：V78S, F87L, A184V 突变：V78S, F87L, A184V	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 HOA HYDROXYAMINE × 2 IC6 (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid × 4 4MN 4-METHYLANILINE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.38M MgCl2, 0.1M Tris 8.5, 12-18% PEG3350	分辨率 2.09 Å R-free 0.241
7Y0S Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-tyrosyl-L-tyrosine and hydroxylamine 提交 2022-06-06	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 A 1–456（456 aa）链 B 1–456（456 aa）	突变：F87A 突变：F87A	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 HOA HYDROXYAMINE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.38M MgCl2, 0.1M Tris 8.5, 12-18% PEG3350	分辨率 2.06 Å R-free 0.228
7Y0T Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanyl-L-phenylalanine 提交 2022-06-06	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 A 1–456（456 aa）链 B 1–456（456 aa）	突变：F87A 突变：F87A	HEM PROTOPORPHYRIN IX CONTAINING FE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.38M MgCl2, 0.1M Tris 8.5, 12-18% PEG3350	分辨率 1.89 Å R-free 0.198
7Y0U Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanyl-L-phenylalanine and hydroxylamine 提交 2022-06-06	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 A 1–456（456 aa）链 B 1–456（456 aa）	突变：F87A 突变：F87A	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 HOA HYDROXYAMINE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.38 M MgCl2, 0.1 M Tris 8.5, 12-18%PEG 3350	分辨率 2.00 Å R-free 0.226
7Y9J Crystal structure of P450 BM3-TMK from Bacillus megaterium in complex with 5-nitro-1,2-benzisoxazole 提交 2022-06-24	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 3–465（463 aa）	突变：E5K,L76Y,F88G,T439K	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；25-30% PEG 3350, 0.1 M MgCl2, 0.1 M HEPES, pH 7.5	分辨率 1.83 Å R-free 0.232
7Y9J Crystal structure of P450 BM3-TMK from Bacillus megaterium in complex with 5-nitro-1,2-benzisoxazole 提交 2022-06-24	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 3–465（463 aa）	突变：E5K,L76Y,F88G,T439K	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 H5J 5-nitro-1,2-benzoxazole × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；25-30% PEG 3350, 0.1 M MgCl2, 0.1 M HEPES, pH 7.5	分辨率 1.83 Å R-free 0.232
7Y9K Crystal structure of P450 BM3-TMK from Bacillus megaterium 提交 2022-06-25	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 3–465（463 aa）	突变：E5K,L76Y,F88G,T439K	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；30% PEG 3350, 0.1 M MgCl2, 0.1 M HEPES pH 7.5	分辨率 2.23 Å R-free 0.208
7Y9K Crystal structure of P450 BM3-TMK from Bacillus megaterium 提交 2022-06-25	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 3–465（463 aa）	突变：E5K,L76Y,F88G,T439K	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；30% PEG 3350, 0.1 M MgCl2, 0.1 M HEPES pH 7.5	分辨率 2.23 Å R-free 0.208
7Y9L Crystal structure of P450 BM3-2F from Bacillus megaterium in complex with 2-Hydroxy-5-Nitrobenzonitrile 提交 2022-06-25	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 3–458（456 aa）	突变：A82F,A328F	6VP 5-nitro-2-oxidanyl-benzenecarbonitrile × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NI NICKEL (II) ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；25-30% PEG 3350, 0.1 M MgCl2, 0.1 M HEPES, pH 7.5	分辨率 1.76 Å R-free 0.203
7Y9L Crystal structure of P450 BM3-2F from Bacillus megaterium in complex with 2-Hydroxy-5-Nitrobenzonitrile 提交 2022-06-25	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 3–458（456 aa）	突变：A82F,A328F	6VP 5-nitro-2-oxidanyl-benzenecarbonitrile × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 NI NICKEL (II) ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；25-30% PEG 3350, 0.1 M MgCl2, 0.1 M HEPES, pH 7.5	分辨率 1.76 Å R-free 0.203
7Y9M Crystal structure of P450 BM3-2F from Bacillus megaterium 提交 2022-06-25	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 3–458（456 aa）	突变：A83F,A329F	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IMD IMIDAZOLE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.9；298 K；25-30% PEG 3350, 0.1M MgCl2, 0.1M HEPES, pH 7.5	分辨率 2.16 Å R-free 0.215
7Y9M Crystal structure of P450 BM3-2F from Bacillus megaterium 提交 2022-06-25	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 3–458（456 aa）	突变：A83F,A329F	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IMD IMIDAZOLE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.9；298 K；25-30% PEG 3350, 0.1M MgCl2, 0.1M HEPES, pH 7.5	分辨率 2.16 Å R-free 0.215
7YD9 Crystal structure of the P450 BM3 heme domain mutant F87G/T268V/A184V/A328V in complex with N-imidazolyl-hexanoyl-L-phenylalanine,methylbenzene and hydroxylamine 提交 2022-07-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	突变：F87G,A184V,T268V,A328V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IC6 (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid × 1 HOA HYDROXYAMINE × 1 MBN TOLUENE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium acetate, 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH7.5, 25% PEG3350	分辨率 1.75 Å R-free 0.226
7YD9 Crystal structure of the P450 BM3 heme domain mutant F87G/T268V/A184V/A328V in complex with N-imidazolyl-hexanoyl-L-phenylalanine,methylbenzene and hydroxylamine 提交 2022-07-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	突变：F87G,A184V,T268V,A328V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IC6 (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid × 1 HOA HYDROXYAMINE × 1 MBN TOLUENE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium acetate, 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH7.5, 25% PEG3350	分辨率 1.75 Å R-free 0.226
7YDA Crystal structure of the P450 BM3 heme domain mutant F87V/T268V/A184V in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine 提交 2022-07-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	突变：F87V,A184V,T268V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IRV (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid × 1 HOA HYDROXYAMINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium acetate, 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH7.5, 25% PEG3350	分辨率 1.56 Å R-free 0.198
7YDA Crystal structure of the P450 BM3 heme domain mutant F87V/T268V/A184V in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine 提交 2022-07-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	突变：F87V,A184V,T268V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IRV (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid × 1 HOA HYDROXYAMINE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium acetate, 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH7.5, 25% PEG3350	分辨率 1.56 Å R-free 0.198
7YDB Crystal structure of the P450 BM3 heme domain mutant F87V/T268I in complex with N-imidazolyl-pentanoyl-L-phenylalanine,ethylbenzene and hydroxylamine 提交 2022-07-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	突变：F87V,T268I	HOA HYDROXYAMINE × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PYJ PHENYLETHANE × 1 IRV (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium acetate, 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH7.5, 25% PEG3350	分辨率 1.47 Å R-free 0.192
7YDB Crystal structure of the P450 BM3 heme domain mutant F87V/T268I in complex with N-imidazolyl-pentanoyl-L-phenylalanine,ethylbenzene and hydroxylamine 提交 2022-07-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	突变：F87V,T268I	HOA HYDROXYAMINE × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 PYJ PHENYLETHANE × 1 IRV (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium acetate, 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH7.5, 25% PEG3350	分辨率 1.47 Å R-free 0.192
7YDC Crystal structure of the P450 BM3 heme domain mutant F87L/T268V/V78C in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine 提交 2022-07-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	突变：V78C,F87L,T268V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HOA HYDROXYAMINE × 1 IRV (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium acetate, 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH7.5, 25% PEG3350	分辨率 1.61 Å R-free 0.191
7YDC Crystal structure of the P450 BM3 heme domain mutant F87L/T268V/V78C in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine 提交 2022-07-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	突变：V78C,F87L,T268V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HOA HYDROXYAMINE × 1 IRV (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium acetate, 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH7.5, 25% PEG3350	分辨率 1.61 Å R-free 0.191
7YDD Crystal structure of the P450 BM3 heme domain mutant F87A/T268P/V78I in complex with N-imidazolyl-pentanoyl-L-phenylalanine,propylbenzene and hydroxylamine 提交 2022-07-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	突变：V78I,F87A,T268P/	HOA HYDROXYAMINE × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 3H0 propylbenzene × 1 IRV (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium acetate, 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH7.5, 25% PEG3350	分辨率 1.66 Å R-free 0.193
7YDD Crystal structure of the P450 BM3 heme domain mutant F87A/T268P/V78I in complex with N-imidazolyl-pentanoyl-L-phenylalanine,propylbenzene and hydroxylamine 提交 2022-07-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	突变：V78I,F87A,T268P/	HOA HYDROXYAMINE × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 3H0 propylbenzene × 1 IRV (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium acetate, 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH7.5, 25% PEG3350	分辨率 1.66 Å R-free 0.193
7YDE Crystal structure of the P450 BM3 heme domain mutant F87T/T268V/I263V in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine 提交 2022-07-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	突变：F87T,I263V,T268V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HOA HYDROXYAMINE × 1 IC6 (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium acetate, 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH7.5, 25% PEG3350	分辨率 1.79 Å R-free 0.192
7YDE Crystal structure of the P450 BM3 heme domain mutant F87T/T268V/I263V in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine 提交 2022-07-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	突变：F87T,I263V,T268V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HOA HYDROXYAMINE × 1 IC6 (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium acetate, 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH7.5, 25% PEG3350	分辨率 1.79 Å R-free 0.192
7YDL Crystal structure of the P450 BM3 heme domain mutant F87A/T268I/A184V/A82T in complex with N-imidazolyl-hexanoyl-L-phenylalanine 提交 2022-07-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	突变：A82T,F87A,A184V,T268I	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IC6 (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M magnesium formate dihydrate, 0.2 M Magnesium chloride hexahydrate, 15% PEG3350	分辨率 1.58 Å R-free 0.200
7YDL Crystal structure of the P450 BM3 heme domain mutant F87A/T268I/A184V/A82T in complex with N-imidazolyl-hexanoyl-L-phenylalanine 提交 2022-07-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	突变：A82T,F87A,A184V,T268I	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IC6 (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M magnesium formate dihydrate, 0.2 M Magnesium chloride hexahydrate, 15% PEG3350	分辨率 1.58 Å R-free 0.200
7YFT Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82C/L181M in complex with N-imidazolyl-pentanoyl-L-phenylalanine, indane and hydroxylamine 提交 2022-07-09	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	突变：A82C,F87A,L181M,T268V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HOA HYDROXYAMINE × 1 16N 2,3-dihydro-1H-indene × 1 IRV (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium acetate, 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH7.5, 25% PEG3350	分辨率 2.00 Å R-free 0.266
7YFT Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82C/L181M in complex with N-imidazolyl-pentanoyl-L-phenylalanine, indane and hydroxylamine 提交 2022-07-09	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	突变：A82C,F87A,L181M,T268V	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HOA HYDROXYAMINE × 1 16N 2,3-dihydro-1H-indene × 1 IRV (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium acetate, 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH7.5, 25% PEG3350	分辨率 2.00 Å R-free 0.266
7YJD Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine 提交 2022-07-19	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–456（456 aa）链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 HOA HYDROXYAMINE × 2 IC6 (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.38M MgCl2, 0.1M Tris 8.5, 12-18% PEG3350	分辨率 1.90 Å R-free 0.212
7YJE Crystal structure of the P450 BM3 heme domain mutant F87G/T268V/A184V/A328V in complex with N-imidazolyl-hexanoyl-L-phenylalanine and acetate ion 提交 2022-07-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IC6 (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid × 1 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium acetate, 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH7.5, 25% PEG3350	分辨率 1.85 Å R-free 0.186
7YJE Crystal structure of the P450 BM3 heme domain mutant F87G/T268V/A184V/A328V in complex with N-imidazolyl-hexanoyl-L-phenylalanine and acetate ion 提交 2022-07-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IC6 (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid × 1 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium acetate, 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH7.5, 25% PEG3350	分辨率 1.85 Å R-free 0.186
7YJF Crystal structure of the P450 BM3 heme domain mutant F87A/T268P/V78I in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine 提交 2022-07-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HOA HYDROXYAMINE × 1 IRV (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium acetate, 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH7.5, 25% PEG3350	分辨率 1.51 Å R-free 0.203
7YJF Crystal structure of the P450 BM3 heme domain mutant F87A/T268P/V78I in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine 提交 2022-07-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HOA HYDROXYAMINE × 1 IRV (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium acetate, 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH7.5, 25% PEG3350	分辨率 1.51 Å R-free 0.203
7YJG Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82C/L181M in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine 提交 2022-07-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HOA HYDROXYAMINE × 1 IRV (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium acetate, 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH7.5, 25% PEG3350	分辨率 1.68 Å R-free 0.192
7YJG Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82C/L181M in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine 提交 2022-07-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HOA HYDROXYAMINE × 1 IRV (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium acetate, 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH7.5, 25% PEG3350	分辨率 1.68 Å R-free 0.192
7YJH Crystal structure of the P450 BM3 heme domain mutant F87V/T268I in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine 提交 2022-07-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	未记录	HOA HYDROXYAMINE × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IRV (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium acetate, 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH7.5, 25% PEG3350	分辨率 1.79 Å R-free 0.207
7YJH Crystal structure of the P450 BM3 heme domain mutant F87V/T268I in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine 提交 2022-07-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	未记录	HOA HYDROXYAMINE × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IRV (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.2 M Ammonium acetate, 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH7.5, 25% PEG3350	分辨率 1.79 Å R-free 0.207
8DME CYP102A1 in Open Conformation 提交 2022-07-08	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 4–1049（1046 aa）链 B 4–1049（1046 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 1C6 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole × 2 FMN FLAVIN MONONUCLEOTIDE × 2 FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 SO4 SULFATE ION × 6 PG4 TETRAETHYLENE GLYCOL × 4	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.4；Fresh prepare sodium phosphate (50mM) + potassium chloride (150mM), pH7.4 and filter with 0.22um filters. cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 6.50 Å
8DMG CYP102A1 in Closed Conformation 提交 2022-07-08	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–1049（1049 aa）链 B 1–1049（1049 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 1C6 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole × 2 FMN FLAVIN MONONUCLEOTIDE × 2 FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 SO4 SULFATE ION × 6 PG4 TETRAETHYLENE GLYCOL × 4	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.4；Fresh prepare sodium phosphate (50mM) + potassium chloride (150mM), pH7.4 and filter with 0.22um filters. cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 4.40 Å
8JC3 Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Pyd-N-C4-Phe and hydroxylamine 提交 2023-05-10	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–456（456 aa）链 B 1–456（456 aa）	突变：F87A,T268V 突变：F87A,T268V	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 HOA HYDROXYAMINE × 2 LXO 4-(pyridin-4-ylamino)butanoic acid × 4 PHE PHENYLALANINE × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.38M MgCl2, 0.1M Tris 8.5, 12-18% PEG3350	分辨率 1.82 Å R-free 0.212
8JC4 Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Pyd-Pid-Phe and hydroxylamine 提交 2023-05-10	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–456（456 aa）链 B 1–456（456 aa）	突变：F87A,T268V 突变：F87A,T268V	HOA HYDROXYAMINE × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 UCH 1-pyridin-4-ylpiperidine-4-carboxylic acid × 4 PHE PHENYLALANINE × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；291 K；0.38M MgCl2, 0.1M Tris 8.5, 12-18% PEG3350	分辨率 2.64 Å R-free 0.280
8Q2F Cytochrome P450 BM3 aMOx-A heme domain 提交 2023-08-02	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–464（464 aa）链 B 1–464（464 aa）	突变：;A44M, S72H, M77E, A78I, A82C, A87A, T88L, S89V, P142A, I174V, T175I, A184V, M212F, S226R, D232C, H236Q, E252G, Y256D, T269L, A290V, G315D, A328S, L353V, I366V, T372M, T436H ; 突变：;A44M, S72H, M77E, A78I, A82C, A87A, T88L, S89V, P142A, I174V, T175I, A184V, M212F, S226R, D232C, H236Q, E252G, Y256D, T269L, A290V, G315D, A328S, L353V, I366V, T372M, T436H ;	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 GOL GLYCEROL × 6 ACT ACETATE ION × 6 SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；reservoir solution: 2.4 M ammonium sulfate, 0.1 M MES pH 5.5, 5 mM magnesium acetate; protein solution: 9 mg/ml in 20 mM Tris pH 7.5, 200 mM NaCl; drop size: 200 nl protein + 100 nl reservoir	分辨率 3.43 Å R-free 0.226
8Q2F Cytochrome P450 BM3 aMOx-A heme domain 提交 2023-08-02	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 C 1–464（464 aa）链 D 1–464（464 aa）	突变：;A44M, S72H, M77E, A78I, A82C, A87A, T88L, S89V, P142A, I174V, T175I, A184V, M212F, S226R, D232C, H236Q, E252G, Y256D, T269L, A290V, G315D, A328S, L353V, I366V, T372M, T436H ; 突变：;A44M, S72H, M77E, A78I, A82C, A87A, T88L, S89V, P142A, I174V, T175I, A184V, M212F, S226R, D232C, H236Q, E252G, Y256D, T269L, A290V, G315D, A328S, L353V, I366V, T372M, T436H ;	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 GOL GLYCEROL × 1 ACT ACETATE ION × 3 SO4 SULFATE ION × 7	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；reservoir solution: 2.4 M ammonium sulfate, 0.1 M MES pH 5.5, 5 mM magnesium acetate; protein solution: 9 mg/ml in 20 mM Tris pH 7.5, 200 mM NaCl; drop size: 200 nl protein + 100 nl reservoir	分辨率 3.43 Å R-free 0.226
8Q2F Cytochrome P450 BM3 aMOx-A heme domain 提交 2023-08-02	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 E 1–464（464 aa）链 F 1–464（464 aa）	突变：;A44M, S72H, M77E, A78I, A82C, A87A, T88L, S89V, P142A, I174V, T175I, A184V, M212F, S226R, D232C, H236Q, E252G, Y256D, T269L, A290V, G315D, A328S, L353V, I366V, T372M, T436H ; 突变：;A44M, S72H, M77E, A78I, A82C, A87A, T88L, S89V, P142A, I174V, T175I, A184V, M212F, S226R, D232C, H236Q, E252G, Y256D, T269L, A290V, G315D, A328S, L353V, I366V, T372M, T436H ;	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 GOL GLYCEROL × 6 ACT ACETATE ION × 5 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；reservoir solution: 2.4 M ammonium sulfate, 0.1 M MES pH 5.5, 5 mM magnesium acetate; protein solution: 9 mg/ml in 20 mM Tris pH 7.5, 200 mM NaCl; drop size: 200 nl protein + 100 nl reservoir	分辨率 3.43 Å R-free 0.226
8QZE Heme-domain BM3 variant 21B3_F87V-A328F 提交 2023-10-27	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–464（464 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IMD IMIDAZOLE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；289 K；0.1 M ammonium tartrate, 20% PEG 3350	分辨率 1.87 Å R-free 0.204
8QZE Heme-domain BM3 variant 21B3_F87V-A328F 提交 2023-10-27	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–464（464 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IMD IMIDAZOLE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；289 K；0.1 M ammonium tartrate, 20% PEG 3350	分辨率 1.87 Å R-free 0.204
8QZF Heme-domain BM3 mutant T268E 提交 2023-10-27	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–463（463 aa）链 B 1–463（463 aa）	突变：T268E 突变：T268E	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 IMD IMIDAZOLE × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；289 K；(0.2 M magnesium chloride hexahydrate, 0.1 M Tris-HCl pH 8.5, 30% PEG 4000	分辨率 1.80 Å R-free 0.196
8YAY XFEL crystal structure of the oxidized form of F393H P450BM3 with N-enanthyl-L-prolyl-L-phenylalanine in complex with styrene 提交 2024-02-11	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 2–456（455 aa）链 B 2–456（455 aa）	突变：F393H 突变：F393H	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 D0L (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 2 SYN ethenylbenzene × 2 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.4；277 K；50 mM Tris-HCl buffer, 120 mM MgCl2, 16-18% PEG 8000, 200 uM N-Enanthyl-L-Prolyl-L-Phenylalanine, 1%(v/v) styrene	分辨率 1.80 Å R-free 0.211
8YAZ XFEL crystal structure of the oxidized form of F87A/F393H P450BM3 with N-enanthyl-L-prolyl-L-phenylalanine in complex with styrene 提交 2024-02-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）	突变：F87A,F393H	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 D0L (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1 SYN ethenylbenzene × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.4；277 K；50 mM Tris-HCl buffer, 120 mM MgCl2, 16-18% PEG 8000, 200 uM N-Enanthyl-L-Prolyl-L-Phenylalanine, 1%(v/v) styrene	分辨率 1.85 Å R-free 0.220
8YAZ XFEL crystal structure of the oxidized form of F87A/F393H P450BM3 with N-enanthyl-L-prolyl-L-phenylalanine in complex with styrene 提交 2024-02-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）	突变：F87A,F393H	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 D0L (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1 SYN ethenylbenzene × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.4；277 K；50 mM Tris-HCl buffer, 120 mM MgCl2, 16-18% PEG 8000, 200 uM N-Enanthyl-L-Prolyl-L-Phenylalanine, 1%(v/v) styrene	分辨率 1.85 Å R-free 0.220
8YB0 XFEL crystal structure of the reduced form of F393H P450BM3 with N-enanthyl-L-prolyl-L-phenylalanine in complex with styrene 提交 2024-02-11	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 D0L (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1 SYN ethenylbenzene × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.4；277 K；50 mM Tris-HCl buffer, 120 mM MgCl2, 16-18% PEG 8000, 200 uM N-Enanthyl-L-Prolyl-L-Phenylalanine, 1%(v/v) styrene	分辨率 1.60 Å R-free 0.205
8YB0 XFEL crystal structure of the reduced form of F393H P450BM3 with N-enanthyl-L-prolyl-L-phenylalanine in complex with styrene 提交 2024-02-11	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 D0L (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1 SYN ethenylbenzene × 1 GOL GLYCEROL × 5	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.4；277 K；50 mM Tris-HCl buffer, 120 mM MgCl2, 16-18% PEG 8000, 200 uM N-Enanthyl-L-Prolyl-L-Phenylalanine, 1%(v/v) styrene	分辨率 1.60 Å R-free 0.205
8YB1 XFEL crystal structure of the reduced form of F87A/F393H P450BM3 with N-enanthyl-L-prolyl-L-phenylalanine in complex with styrene 提交 2024-02-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）	突变：F87A,F393H	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 D0L (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1 SYN ethenylbenzene × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.4；277 K；50 mM Tris-HCl buffer, 120 mM MgCl2, 16-18% PEG 8000, 200 uM N-Enanthyl-L-Prolyl-L-Phenylalanine, 1%(v/v) styrene	分辨率 1.60 Å R-free 0.214
8YB1 XFEL crystal structure of the reduced form of F87A/F393H P450BM3 with N-enanthyl-L-prolyl-L-phenylalanine in complex with styrene 提交 2024-02-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）	突变：F87A,F393H	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 D0L (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1 SYN ethenylbenzene × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.4；277 K；50 mM Tris-HCl buffer, 120 mM MgCl2, 16-18% PEG 8000, 200 uM N-Enanthyl-L-Prolyl-L-Phenylalanine, 1%(v/v) styrene	分辨率 1.60 Å R-free 0.214
8YB2 XFEL crystal structure of the oxygen-bound form of F393H P450BM3 with N-enanthyl-L-prolyl-L-phenylalanine in complex with styrene 提交 2024-02-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）	突变：F393H	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 D0L (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1 SYN ethenylbenzene × 1 OXY OXYGEN MOLECULE × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.4；277 K；50 mM Tris-HCl buffer, 120 mM MgCl2, 16-18% PEG 8000, 200 uM N-Enanthyl-L-Prolyl-L-Phenylalanine, 1%(v/v) styrene	分辨率 1.50 Å R-free 0.208
8YB2 XFEL crystal structure of the oxygen-bound form of F393H P450BM3 with N-enanthyl-L-prolyl-L-phenylalanine in complex with styrene 提交 2024-02-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）	突变：F393H	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 D0L (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1 SYN ethenylbenzene × 1 OXY OXYGEN MOLECULE × 1 GOL GLYCEROL × 5	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.4；277 K；50 mM Tris-HCl buffer, 120 mM MgCl2, 16-18% PEG 8000, 200 uM N-Enanthyl-L-Prolyl-L-Phenylalanine, 1%(v/v) styrene	分辨率 1.50 Å R-free 0.208
8YB3 XFEL crystal structure of the oxygen-bound form of F87A/F393H P450BM3 with N-enanthyl-L-prolyl-L-phenylalanine in complex with styrene 提交 2024-02-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）	突变：F87A,F393H	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 D0L (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1 SYN ethenylbenzene × 1 OXY OXYGEN MOLECULE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.4；277 K；50 mM Tris-HCl buffer, 120 mM MgCl2, 16-18% PEG 8000, 200 uM N-Enanthyl-L-Prolyl-L-Phenylalanine, 1%(v/v) styrene	分辨率 1.50 Å R-free 0.206
8YB3 XFEL crystal structure of the oxygen-bound form of F87A/F393H P450BM3 with N-enanthyl-L-prolyl-L-phenylalanine in complex with styrene 提交 2024-02-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）	突变：F87A,F393H	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 D0L (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1 SYN ethenylbenzene × 1 OXY OXYGEN MOLECULE × 1 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.4；277 K；50 mM Tris-HCl buffer, 120 mM MgCl2, 16-18% PEG 8000, 200 uM N-Enanthyl-L-Prolyl-L-Phenylalanine, 1%(v/v) styrene	分辨率 1.50 Å R-free 0.206
9ISS Crystal Structure of Cytochrome P450BM3 III-10C1 Mutant Heme Domain with N-Decanoyl-L-Homoserine Lactone 提交 2024-07-18	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）	突变：R47W, T49L, A74V, L188P	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HL0 N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.4；293 K；PEG 8000, Tris-HCl, magnesium chloride, N-decanoyl homoserine lactone	分辨率 1.46 Å R-free 0.182
9ISS Crystal Structure of Cytochrome P450BM3 III-10C1 Mutant Heme Domain with N-Decanoyl-L-Homoserine Lactone 提交 2024-07-18	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）	突变：R47W, T49L, A74V, L188P	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HL0 N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.4；293 K；PEG 8000, Tris-HCl, magnesium chloride, N-decanoyl homoserine lactone	分辨率 1.46 Å R-free 0.182
9IST Crystal Structure of Cytochrome P450BM3 VI-18A12 Mutant Heme Domain with N-Decanoyl-L-Homoserine Lactone 提交 2024-07-18	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）	突变：P25V, R47W, T49L, A74V, L188P	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HL0 N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.4；293 K；PEG 8000, Tris-HCl, magnesium chloride, N-decanoyl homoserine lactone	分辨率 2.27 Å R-free 0.259
9IST Crystal Structure of Cytochrome P450BM3 VI-18A12 Mutant Heme Domain with N-Decanoyl-L-Homoserine Lactone 提交 2024-07-18	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）	突变：P25V, R47W, T49L, A74V, L188P	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HL0 N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 5	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.4；293 K；PEG 8000, Tris-HCl, magnesium chloride, N-decanoyl homoserine lactone	分辨率 2.27 Å R-free 0.259
9ISU Crystal Structure of Cytochrome P450BM3 V-19A14 Mutant Heme Domain with N-Decanoyl-L-Homoserine Lactone 提交 2024-07-18	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）	突变：P25V, R47W, T49L, Q73G, A74V, L188P	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HL0 N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.4；293 K；PEG 8000, Tris-HCl, magnesium chloride, N-decanoyl homoserine lactone	分辨率 1.32 Å R-free 0.180
9ISU Crystal Structure of Cytochrome P450BM3 V-19A14 Mutant Heme Domain with N-Decanoyl-L-Homoserine Lactone 提交 2024-07-18	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）	突变：P25V, R47W, T49L, Q73G, A74V, L188P	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HL0 N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.4；293 K；PEG 8000, Tris-HCl, magnesium chloride, N-decanoyl homoserine lactone	分辨率 1.32 Å R-free 0.180
9KGP The structure of natural P450BM3-H derived from Bacillus megaterium for catalyzing the steroid DHEA 提交 2024-11-08	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 2–456（455 aa）链 B 2–456（455 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH 7.5, 25% w/v Polyethylene glycol 3,350	分辨率 1.52 Å R-free 0.227
9KGP The structure of natural P450BM3-H derived from Bacillus megaterium for catalyzing the steroid DHEA 提交 2024-11-08	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH 7.5, 25% w/v Polyethylene glycol 3,350	分辨率 1.52 Å R-free 0.227
9KGP The structure of natural P450BM3-H derived from Bacillus megaterium for catalyzing the steroid DHEA 提交 2024-11-08	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH 7.5, 25% w/v Polyethylene glycol 3,350	分辨率 1.52 Å R-free 0.227
9KT5 Synchrotron X-ray crystal structure of oxygen-bound F87A/F393H P450BM3 with decoy C7ProPhe (N-enanthyl-L-prolyl-L-phenylalanine) and substrate styrene at 2 MGy X-ray dose 提交 2024-12-01	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–456（456 aa）	突变：F87A,F393H	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SYN ethenylbenzene × 1 OXY OXYGEN MOLECULE × 1 D0L (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.4；277 K；50 mM Tris-HCl buffer, 120 mM MgCl2, 16-18% PEG 8000, 0.2 mM N-Enanthyl-L-Prolyl-L-Phenylalanine, 1%(v/v) styrene	分辨率 1.60 Å R-free 0.200
9KT5 Synchrotron X-ray crystal structure of oxygen-bound F87A/F393H P450BM3 with decoy C7ProPhe (N-enanthyl-L-prolyl-L-phenylalanine) and substrate styrene at 2 MGy X-ray dose 提交 2024-12-01	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–456（456 aa）	突变：F87A,F393H	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SYN ethenylbenzene × 1 OXY OXYGEN MOLECULE × 1 D0L (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 BATCH MODE；pH 7.4；277 K；50 mM Tris-HCl buffer, 120 mM MgCl2, 16-18% PEG 8000, 0.2 mM N-Enanthyl-L-Prolyl-L-Phenylalanine, 1%(v/v) styrene	分辨率 1.60 Å R-free 0.200
9UXZ Crystal structure of the P450BM3 triple mutant F87A/L215W/H408W from Priestia megaterium 提交 2025-05-14	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 A 1–456（456 aa）链 B 1–456（456 aa）	突变：F87A,L215W,H408W 突变：F87A,L215W,H408W	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 GOL GLYCEROL × 1 MOH METHANOL × 5 MG MAGNESIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；0.1 M Tris ph 8.5, 0.38 M MgCl2, 12-18% PEG3350	分辨率 1.70 Å R-free 0.209
9WMA Crystal structure of a P450 BM3 heme domain mutant 提交 2025-09-03	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IMD IMIDAZOLE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；298 K；0.1 M TRIS 8.5; 0.2 M MgCl2; 20% PEG 3350	分辨率 1.57 Å R-free 0.179
9WMA Crystal structure of a P450 BM3 heme domain mutant 提交 2025-09-03	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IMD IMIDAZOLE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；298 K；0.1 M TRIS 8.5; 0.2 M MgCl2; 20% PEG 3350	分辨率 1.57 Å R-free 0.179
9WMB crystal structure of a P450 BM3 heme domain mutant in complex with Zearalenone 提交 2025-09-03	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ZER (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；298 K；0.1 M TRIS 8.5; 0.2 M MgCl2; 20% PEG 3350	分辨率 1.80 Å R-free 0.188
9WMB crystal structure of a P450 BM3 heme domain mutant in complex with Zearalenone 提交 2025-09-03	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 ZER (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；298 K；0.1 M TRIS 8.5; 0.2 M MgCl2; 20% PEG 3350	分辨率 1.80 Å R-free 0.188
9WMC Crystal structure of a P450 BM3 heme domain mutant in complex with Alpha-Zearalanol 提交 2025-09-03	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–456（455 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 36J (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one × 1 PEG DI(HYDROXYETHYL)ETHER × 3 NI NICKEL (II) ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；298 K；0.1 M TRIS 8.5; 0.2 M MgCl2; 20% PEG 3350	分辨率 2.09 Å R-free 0.220
9WMC Crystal structure of a P450 BM3 heme domain mutant in complex with Alpha-Zearalanol 提交 2025-09-03	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–456（455 aa）	未记录	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 36J (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 NI NICKEL (II) ION × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；298 K；0.1 M TRIS 8.5; 0.2 M MgCl2; 20% PEG 3350	分辨率 2.09 Å R-free 0.220

共 168 个其他 PDB 条目、308 个 assembly。打开独立比较页并筛选聚集状态

查看构建体与数据证据

UniProt名称	CPXB_BACMB
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–456； UniProt 1–456 作者链 B； PDB构建体 1–456； UniProt 1–456 作者链 C； PDB构建体 1–456； UniProt 1–456 作者链 D； PDB构建体 1–456； UniProt 1–456

页面优先展示蛋白身份、当前 assembly、共同组分、聚集状态和跨 PDB 结构链接。链映射与序列区间收在“数据证据”中；数据库内部编号、导入时间和 assembly 操作表达式仅用于维护，因此不在读者页面展示。

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

下载 Download SAXS (.dat) P(r) (.pr.out) CIF

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2. 结构基本信息 2. Structure Basics

条目编号 entry_id	5xa3
沉积日期 deposition_date	2017-03-10
结构标题 title	Crystal Structure of P450BM3 with Benzyloxycarbonyl-L-prolyl-L-phenylalanine
关键词 keywords	Cytochrome P450, OXIDOREDUCTASE; OXIDOREDUCTASE
实验方法 method	X-RAY DIFFRACTION

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3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	52.23 Å
回转半径 Rg (电子) rg_electron	52.88 Å
零角强度 I(0) i0	627341000.00
分子量 molecular_weight	211800.0 kDa
排除体积 excluded_volume	266650 Å³
包络体积 envelope_volume	352830 Å³
水化壳体积 shell_volume	61940 Å³
包络直径 envelope_diameter	203.4 Å
壳层 Rg shell_rg	47.83 Å
包络 Rg envelope_rg	52.66 Å
形状 Rg shape_rg	52.89 Å
总 Rg total_rg	52.66 Å
总原子数 total_atoms	14924
残基数 n_residues	1812
球谐函数阶数 n_harmonics	20
q 范围 q_range	— – 0.5000 Å⁻¹
数据点数 n_points	101
壳层类型 shell_type	directional
溶剂电子密度 solvent_density	0.3340 e/Å³
壳层衬度 contrast_shell	0.0300 e/Å³
CRYSOL 版本 crysol_version	4.1.3

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4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	186.6 Å
Rg (实空间) rg_real	52.86 Å
Rg 误差 (实空间) rg_real_error	2.74 Å
I(0) (实空间) i0_real	6.2730e+08
I(0) 误差 (实空间) i0_real_error	1.2680e+07
Rg (倒空间) rg_reciprocal	51.71 Å
I(0) (倒空间) i0_reciprocal	626300000.0000
解质量估计 total_estimate	0.5457
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	37.3 Å
偏度 Skewness skewness	0.665
峰度 Kurtosis kurtosis	-0.133
角度范围 angular_range	— – 0.1500 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	74300000.0000
实空间数据点数 n_real_points	31
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.589; Stabil: 0.999; Sysdev: 0.062; Positv: 1.000; Valcen: 0.760; Smooth: 0.380

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5. 晶体学与实验 5. Crystallography & Experiment

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6. 实体与聚合物信息 Entities & Polymers (7)

实体 1 Entity 1 polymer

描述 description	Bifunctional cytochrome P450/NADPH-P450 reductase
分子量 formula_weight	52300.7 kDa
EC 编号 ec_number	1.14.14.1,1.6.2.4
来源方法 src_method	man
拷贝数 entity_count	4

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D
原子数 atom_count	15645

MTIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTRYLSSQRLIKEACDESRFDKNLSQALKFVRDFAGDGLFTSWTHEKNWKKAHNILLPSFSQQAMKGYHAMMVDIAVQLVQKWERLNADEHIEVPEDMTRLTLDTIGLCGFNYRFNSFYRDQPHPFITSMVRALDEAMNKLQRANPDDPAYDENKRQFQEDIKVMNDLVDKIIADRKASGEQSDDLLTHMLNGKDPETGEPLDDENIRYQIITFLIAGHETTSGLLSFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQVKQLKYVGMVLNEALRLWPTAPAFSLYAKEDTVLGGEYPLEKGDELMVLIPQLHRDKTIWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALHEATLVLGMMLKHFDFEDHTNYELDIKETLTLKPEGFVVKAKSKKIPL

来源 Source

来源生物 organism	Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / VKM B-512)
NCBI 分类编号 ncbi_taxonomy_id	1348623
宿主生物 host_organism	Escherichia coli

实体 2 Entity 2 non-polymer

描述 description	PROTOPORPHYRIN IX CONTAINING FE
分子量 formula_weight	616.5 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

实体 3 Entity 3 non-polymer

描述 description	DIMETHYL SULFOXIDE
分子量 formula_weight	78.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

实体 4 Entity 4 non-polymer

描述 description	PROLINE
分子量 formula_weight	115.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

实体 5 Entity 5 non-polymer

描述 description	PHENYLALANINE
分子量 formula_weight	165.2 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

实体 6 Entity 6 non-polymer

描述 description	benzyl chlorocarbonate
分子量 formula_weight	170.6 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

实体 7 Entity 7 water

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	637

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7. 折叠分类 (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

结构域编号 domain_id	d5xa3a_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.104 — Cytochrome P450
超家族 Superfamily superfamily	a.104.1 — Cytochrome P450
家族 Family family	a.104.1.1 — Cytochrome P450

结构域编号 domain_id	d5xa3b_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.104 — Cytochrome P450
超家族 Superfamily superfamily	a.104.1 — Cytochrome P450
家族 Family family	a.104.1.1 — Cytochrome P450

结构域编号 domain_id	d5xa3c_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.104 — Cytochrome P450
超家族 Superfamily superfamily	a.104.1 — Cytochrome P450
家族 Family family	a.104.1.1 — Cytochrome P450

结构域编号 domain_id	d5xa3d_
类 Class class	a — All alpha proteins
折叠类型 Fold fold	a.104 — Cytochrome P450
超家族 Superfamily superfamily	a.104.1 — Cytochrome P450
家族 Family family	a.104.1.1 — Cytochrome P450

CATH v4.4 (4 domains)

结构域编号 domain_id	5xa3A00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	630 — Cytochrome p450
同源超家族 H-superfamily homologous superfamily	10 — Cytochrome P450

结构域编号 domain_id	5xa3B00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	630 — Cytochrome p450
同源超家族 H-superfamily homologous superfamily	10 — Cytochrome P450

结构域编号 domain_id	5xa3C00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	630 — Cytochrome p450
同源超家族 H-superfamily homologous superfamily	10 — Cytochrome P450

结构域编号 domain_id	5xa3D00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	10 — Orthogonal Bundle
拓扑 Topology topology	630 — Cytochrome p450
同源超家族 H-superfamily homologous superfamily	10 — Cytochrome P450

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8. 引用文献 (1)

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晶胞边长 a length_a	126.234 Å
晶胞边长 b length_b	58.522 Å
晶胞边长 c length_c	145.952 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.02 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	8

空间群 space_group	P 1 21 1
空间群编号 int_tables_number	4
晶系 crystal_system	—

分辨率 resolution	2.200 Å
最低分辨率 resolution_low	50.000 Å
R 因子 r_factor	0.2220
R_work r_work	0.2210
R_free r_free	0.2530

fit	/app/data/saxs_computation/xa/5xa3/5xa3.fit
pddf	/app/data/pr_computation/xa/5xa3/5xa3.pr.out
profile	/app/data/saxs_computation/xa/5xa3/5xa3.dat