4r7m

Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor

Method: X-RAY DIFFRACTION D_max: 210.0 Å Quality: GOOD

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

M17 leucyl aminopeptidase

Plasmodium falciparum 3D7

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	蛋白同源多聚体同源多聚体蛋白 × 6 PDB 声明：hexameric（6）与蛋白拷贝数一致	链 A； UniProt 84–605 链 B； UniProt 84–605 链 C； UniProt 84–605 链 D； UniProt 84–605 链 E； UniProt 84–605 链 F； UniProt 84–605	片段：unp residues 84-605 突变：D152N, D515N, D516N	ZN ZINC ION × 12 CO3 CARBONATE ION × 6 1PE PENTAETHYLENE GLYCOL × 7 3MW 4-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide × 6 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；40% (v/v) PEG 400, 0.1 M Tris pH 8.5, 0.2 M Li2SO4, 1 mM TCEP, vapor diffusion, hanging drop, temperature 298K	分辨率 2.85 Å R-free 0.291
2	蛋白同源多聚体同源多聚体蛋白 × 6 PDB 声明：hexameric（6）与蛋白拷贝数一致	链 G； UniProt 84–605 链 H； UniProt 84–605 链 I； UniProt 84–605 链 J； UniProt 84–605 链 K； UniProt 84–605 链 L； UniProt 84–605	片段：unp residues 84-605 突变：D152N, D515N, D516N	ZN ZINC ION × 12 CO3 CARBONATE ION × 6 1PE PENTAETHYLENE GLYCOL × 4 3MW 4-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide × 6 SO4 SULFATE ION × 5 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；40% (v/v) PEG 400, 0.1 M Tris pH 8.5, 0.2 M Li2SO4, 1 mM TCEP, vapor diffusion, hanging drop, temperature 298K	分辨率 2.85 Å R-free 0.291

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 4R7M	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
3KQX Structure of a protease 1 提交 2009-11-17	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 A 84–605（522 aa）片段：residues 84-605 链 B 84–605（522 aa）片段：residues 84-605 链 C 84–605（522 aa）片段：residues 84-605 链 D 84–605（522 aa）片段：residues 84-605 链 E 84–605（522 aa）片段：residues 84-605 链 F 84–605（522 aa）片段：residues 84-605	突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q	ZN ZINC ION × 6 CO3 CARBONATE ION × 6 SO4 SULFATE ION × 11 1PE PENTAETHYLENE GLYCOL × 24 2PE NONAETHYLENE GLYCOL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；40% PEG 400, 0.1M Tris pH 8.5, 0.2M LiSO4, 1mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.01 Å R-free 0.232
3KQX Structure of a protease 1 提交 2009-11-17	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 G 84–605（522 aa）片段：residues 84-605 链 H 84–605（522 aa）片段：residues 84-605 链 I 84–605（522 aa）片段：residues 84-605 链 J 84–605（522 aa）片段：residues 84-605 链 K 84–605（522 aa）片段：residues 84-605 链 L 84–605（522 aa）片段：residues 84-605	突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q	ZN ZINC ION × 6 CO3 CARBONATE ION × 6 SO4 SULFATE ION × 5 1PE PENTAETHYLENE GLYCOL × 30 2PE NONAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；40% PEG 400, 0.1M Tris pH 8.5, 0.2M LiSO4, 1mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.01 Å R-free 0.232
3KQZ Structure of a protease 2 提交 2009-11-17	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 A 84–605（522 aa）片段：residues 84-605 链 B 84–605（522 aa）片段：residues 84-605 链 C 84–605（522 aa）片段：residues 84-605 链 D 84–605（522 aa）片段：residues 84-605 链 E 84–605（522 aa）片段：residues 84-605 链 F 84–605（522 aa）片段：residues 84-605	突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q	CO3 CARBONATE ION × 6 ZN ZINC ION × 12 SO4 SULFATE ION × 16 1PE PENTAETHYLENE GLYCOL × 24 2PE NONAETHYLENE GLYCOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；40% PEG 400, 0.1M Tris pH 8.5, 0.2M LiSO4, 1mM TCEP, 1mM ZnCl2, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.39 Å R-free 0.242
3KQZ Structure of a protease 2 提交 2009-11-17	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 G 84–605（522 aa）片段：residues 84-605 链 H 84–605（522 aa）片段：residues 84-605 链 I 84–605（522 aa）片段：residues 84-605 链 J 84–605（522 aa）片段：residues 84-605 链 K 84–605（522 aa）片段：residues 84-605 链 L 84–605（522 aa）片段：residues 84-605	突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q	CO3 CARBONATE ION × 6 ZN ZINC ION × 12 SO4 SULFATE ION × 11 1PE PENTAETHYLENE GLYCOL × 29 2PE NONAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；40% PEG 400, 0.1M Tris pH 8.5, 0.2M LiSO4, 1mM TCEP, 1mM ZnCl2, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.39 Å R-free 0.242
3KR4 Structure of a protease 3 提交 2009-11-17	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 A 84–605（522 aa）片段：residues 84-605 链 B 84–605（522 aa）片段：residues 84-605 链 C 84–605（522 aa）片段：residues 84-605 链 D 84–605（522 aa）片段：residues 84-605 链 E 84–605（522 aa）片段：residues 84-605 链 F 84–605（522 aa）片段：residues 84-605	突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q	CO3 CARBONATE ION × 6 ZN ZINC ION × 6 BES 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID × 6 MG MAGNESIUM ION × 6 SO4 SULFATE ION × 8 1PE PENTAETHYLENE GLYCOL × 17	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；40% PEG 400, 0.1M Tris pH 8.5, 0.2M LiSo4, 1mM TCEP, 1mM MgCl2, 1mM Bestatin, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.242
3KR4 Structure of a protease 3 提交 2009-11-17	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 G 84–605（522 aa）片段：residues 84-605 链 H 84–605（522 aa）片段：residues 84-605 链 I 84–605（522 aa）片段：residues 84-605 链 J 84–605（522 aa）片段：residues 84-605 链 K 84–605（522 aa）片段：residues 84-605 链 L 84–605（522 aa）片段：residues 84-605	突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q	CO3 CARBONATE ION × 6 ZN ZINC ION × 6 BES 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID × 6 MG MAGNESIUM ION × 6 SO4 SULFATE ION × 6 1PE PENTAETHYLENE GLYCOL × 20	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；40% PEG 400, 0.1M Tris pH 8.5, 0.2M LiSo4, 1mM TCEP, 1mM MgCl2, 1mM Bestatin, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.242
3KR5 Structure of a protease 4 提交 2009-11-17	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 A 84–605（522 aa）片段：residues 84-605 链 B 84–605（522 aa）片段：residues 84-605 链 C 84–605（522 aa）片段：residues 84-605 链 D 84–605（522 aa）片段：residues 84-605 链 E 84–605（522 aa）片段：residues 84-605 链 F 84–605（522 aa）片段：residues 84-605	突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q	CO3 CARBONATE ION × 6 ZN ZINC ION × 12 BEY (2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid × 6 SO4 SULFATE ION × 8 1PE PENTAETHYLENE GLYCOL × 17	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；40% PEG 400, 0.1M Tris pH 8.5, 0.2M LiSO4, 1mM TCEP, 1mM ZnCl2, 1mM Co4/BEY, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.56 Å R-free 0.278
3KR5 Structure of a protease 4 提交 2009-11-17	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 G 84–605（522 aa）片段：residues 84-605 链 H 84–605（522 aa）片段：residues 84-605 链 I 84–605（522 aa）片段：residues 84-605 链 J 84–605（522 aa）片段：residues 84-605 链 K 84–605（522 aa）片段：residues 84-605 链 L 84–605（522 aa）片段：residues 84-605	突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q	CO3 CARBONATE ION × 6 ZN ZINC ION × 12 BEY (2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid × 6 SO4 SULFATE ION × 7 1PE PENTAETHYLENE GLYCOL × 20	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；40% PEG 400, 0.1M Tris pH 8.5, 0.2M LiSO4, 1mM TCEP, 1mM ZnCl2, 1mM Co4/BEY, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.56 Å R-free 0.278
3T8W A bestatin-based chemical biology strategy reveals distinct roles for malaria M1- and M17-family aminopeptidases 提交 2011-08-01	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 A 84–605（522 aa）片段：UNP residues 84-605 链 B 84–605（522 aa）片段：UNP residues 84-605 链 C 84–605（522 aa）片段：UNP residues 84-605 链 D 84–605（522 aa）片段：UNP residues 84-605 链 E 84–605（522 aa）片段：UNP residues 84-605 链 F 84–605（522 aa）片段：UNP residues 84-605	未记录	CO3 CARBONATE ION × 6 ZN ZINC ION × 12 DGZ N-((2R,3S,6S,18S,21S)-2-amino-18-(4-benzoylbenzyl)-21-carbamoyl-3-hydroxy-6-(naphthalen-2-ylmethyl)-4,7,16,19-tetraoxo-1-phenyl-11,14-dioxa-5,8,17,20-tetraazapentacosan-25-yl)hex-5-ynamide × 6 SO4 SULFATE ION × 12 1PE PENTAETHYLENE GLYCOL × 14 2PE NONAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；40%(v/v) PEG400, 0.1M Tris, 0.2M LiSO4, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.200
3T8W A bestatin-based chemical biology strategy reveals distinct roles for malaria M1- and M17-family aminopeptidases 提交 2011-08-01	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 G 84–605（522 aa）片段：UNP residues 84-605 链 H 84–605（522 aa）片段：UNP residues 84-605 链 I 84–605（522 aa）片段：UNP residues 84-605 链 J 84–605（522 aa）片段：UNP residues 84-605 链 K 84–605（522 aa）片段：UNP residues 84-605 链 L 84–605（522 aa）片段：UNP residues 84-605	未记录	CO3 CARBONATE ION × 6 ZN ZINC ION × 12 DGZ N-((2R,3S,6S,18S,21S)-2-amino-18-(4-benzoylbenzyl)-21-carbamoyl-3-hydroxy-6-(naphthalen-2-ylmethyl)-4,7,16,19-tetraoxo-1-phenyl-11,14-dioxa-5,8,17,20-tetraazapentacosan-25-yl)hex-5-ynamide × 6 SO4 SULFATE ION × 17 1PE PENTAETHYLENE GLYCOL × 19 2PE NONAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；40%(v/v) PEG400, 0.1M Tris, 0.2M LiSO4, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.200
4K3N Phosphonic Arginine Mimetics as Inhibitors of the M17 Aminopeptidases from Plasmodium falciparum 提交 2013-04-11	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 × 6 PDB 声明：hexameric	链 A 84–605（522 aa）片段：unp residues 84-605 链 B 84–605（522 aa）片段：unp residues 84-605 链 C 84–605（522 aa）片段：unp residues 84-605 链 D 84–605（522 aa）片段：unp residues 84-605 链 E 84–605（522 aa）片段：unp residues 84-605 链 F 84–605（522 aa）片段：unp residues 84-605	突变：D152N, D515N, D516N 突变：D152N, D515N, D516N 突变：D152N, D515N, D516N 突变：D152N, D515N, D516N 突变：D152N, D515N, D516N 突变：D152N, D515N, D516N	ZN ZINC ION × 12 CO3 CARBONATE ION × 6 1OT {(R)-amino[4-(1H-pyrazol-1-yl)phenyl]methyl}phosphonic acid × 6 SO4 SULFATE ION × 11 1PE PENTAETHYLENE GLYCOL × 15 2PE NONAETHYLENE GLYCOL × 8	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；40% PEG 400, 0.1M Tris, 0.2M LiSO4, 1mM TCEP, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.240
4K3N Phosphonic Arginine Mimetics as Inhibitors of the M17 Aminopeptidases from Plasmodium falciparum 提交 2013-04-11	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 × 6 PDB 声明：hexameric	链 G 84–605（522 aa）片段：unp residues 84-605 链 H 84–605（522 aa）片段：unp residues 84-605 链 I 84–605（522 aa）片段：unp residues 84-605 链 J 84–605（522 aa）片段：unp residues 84-605 链 K 84–605（522 aa）片段：unp residues 84-605 链 L 84–605（522 aa）片段：unp residues 84-605	突变：D152N, D515N, D516N 突变：D152N, D515N, D516N 突变：D152N, D515N, D516N 突变：D152N, D515N, D516N 突变：D152N, D515N, D516N 突变：D152N, D515N, D516N	ZN ZINC ION × 12 CO3 CARBONATE ION × 6 1OT {(R)-amino[4-(1H-pyrazol-1-yl)phenyl]methyl}phosphonic acid × 6 SO4 SULFATE ION × 10 1PE PENTAETHYLENE GLYCOL × 19 2PE NONAETHYLENE GLYCOL × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；40% PEG 400, 0.1M Tris, 0.2M LiSO4, 1mM TCEP, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.00 Å R-free 0.240
4R6T Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor 提交 2014-08-26	构建体不同突变/修饰不同配体/离子不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 A 84–605（522 aa）链 B 84–605（522 aa）链 C 84–605（522 aa）链 D 84–605（522 aa）链 E 84–605（522 aa）链 F 84–605（522 aa）	未记录	ZN ZINC ION × 12 CO3 CARBONATE ION × 6 SO4 SULFATE ION × 12 R5T tert-butyl {(1S)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}carbamate × 6 1PE PENTAETHYLENE GLYCOL × 12	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；40% (v/v) PEG 400, 0.1 M Tris pH 8.5, 0.2 M Li2SO4, 1 mM TCEP, vapor diffusion, hanging drop, temperature 298K	分辨率 2.60 Å R-free 0.269
4R6T Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor 提交 2014-08-26	构建体不同突变/修饰不同配体/离子不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 G 84–605（522 aa）链 H 84–605（522 aa）链 I 84–605（522 aa）链 J 84–605（522 aa）链 K 84–605（522 aa）链 L 84–605（522 aa）	未记录	ZN ZINC ION × 12 CO3 CARBONATE ION × 6 SO4 SULFATE ION × 11 R5T tert-butyl {(1S)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}carbamate × 6 1PE PENTAETHYLENE GLYCOL × 8 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；40% (v/v) PEG 400, 0.1 M Tris pH 8.5, 0.2 M Li2SO4, 1 mM TCEP, vapor diffusion, hanging drop, temperature 298K	分辨率 2.60 Å R-free 0.269
4X2T X-ray crystal structure of the orally available aminopeptidase inhibitor, Tosedostat, bound to the M17 Leucyl Aminopeptidase from P. falciparum 提交 2014-11-27	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 A 85–603（519 aa）片段：UNP residues 85 to 603 链 B 85–603（519 aa）片段：UNP residues 85 to 603 链 C 85–603（519 aa）片段：UNP residues 85 to 603 链 D 85–603（519 aa）片段：UNP residues 85 to 603 链 E 85–603（519 aa）片段：UNP residues 85 to 603 链 F 85–603（519 aa）片段：UNP residues 85 to 603	突变：N152Q, N515Q, N545Q 突变：N152Q, N515Q, N545Q 突变：N152Q, N515Q, N545Q 突变：N152Q, N515Q, N545Q 突变：N152Q, N515Q, N545Q 突变：N152Q, N515Q, N545Q	ZN ZINC ION × 12 TOD (2S)-({(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid × 5 CO3 CARBONATE ION × 6 SO4 SULFATE ION × 8 1PE PENTAETHYLENE GLYCOL × 7	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.6；298 K；35% (v/v) PEG 400, 0.1 M Tris pH 8.6, 0.2 M Li2SO4	分辨率 2.73 Å R-free 0.274
4X2T X-ray crystal structure of the orally available aminopeptidase inhibitor, Tosedostat, bound to the M17 Leucyl Aminopeptidase from P. falciparum 提交 2014-11-27	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 G 85–603（519 aa）片段：UNP residues 85 to 603 链 H 85–603（519 aa）片段：UNP residues 85 to 603 链 I 85–603（519 aa）片段：UNP residues 85 to 603 链 J 85–603（519 aa）片段：UNP residues 85 to 603 链 K 85–603（519 aa）片段：UNP residues 85 to 603 链 L 85–603（519 aa）片段：UNP residues 85 to 603	突变：N152Q, N515Q, N545Q 突变：N152Q, N515Q, N545Q 突变：N152Q, N515Q, N545Q 突变：N152Q, N515Q, N545Q 突变：N152Q, N515Q, N545Q 突变：N152Q, N515Q, N545Q	ZN ZINC ION × 12 TOD (2S)-({(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid × 6 CO3 CARBONATE ION × 6 SO4 SULFATE ION × 5 1PE PENTAETHYLENE GLYCOL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.6；298 K；35% (v/v) PEG 400, 0.1 M Tris pH 8.6, 0.2 M Li2SO4	分辨率 2.73 Å R-free 0.274
7RIE Plasmodium falciparum M17 in complex with inhibitor MIPS2571 提交 2021-07-19	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 A 85–605（521 aa）链 B 85–605（521 aa）链 C 85–605（521 aa）链 D 85–605（521 aa）链 E 85–605（521 aa）链 F 85–605（521 aa）	未记录	CO3 CARBONATE ION × 6 ZN ZINC ION × 12 1PE PENTAETHYLENE GLYCOL × 5 5IF N-{(1R)-2-(hydroxyamino)-1-[4'-(hydroxymethyl)[1,1'-biphenyl]-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide × 6 SO4 SULFATE ION × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG400, 0.2M LiSO4, 0.1M Tris pH 7.5 to 8.8	分辨率 2.49 Å R-free 0.229
7RIE Plasmodium falciparum M17 in complex with inhibitor MIPS2571 提交 2021-07-19	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 G 85–605（521 aa）链 H 85–605（521 aa）链 I 85–605（521 aa）链 J 85–605（521 aa）链 K 85–605（521 aa）链 L 85–605（521 aa）	未记录	CO3 CARBONATE ION × 6 ZN ZINC ION × 12 1PE PENTAETHYLENE GLYCOL × 4 5IF N-{(1R)-2-(hydroxyamino)-1-[4'-(hydroxymethyl)[1,1'-biphenyl]-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide × 6 SO4 SULFATE ION × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG400, 0.2M LiSO4, 0.1M Tris pH 7.5 to 8.8	分辨率 2.49 Å R-free 0.229
7SRV Metal dependent activation of Plasmodium falciparum M17 aminopeptidase (inactive form), spacegroup P22121 提交 2021-11-08	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 A 85–605（521 aa）链 B 85–605（521 aa）链 C 85–605（521 aa）链 D 85–605（521 aa）链 E 85–605（521 aa）链 F 85–605（521 aa）	未记录	ZN ZINC ION × 12 CO3 CARBONATE ION × 6 ACT ACETATE ION × 8 CA CALCIUM ION × 12 EDO 1,2-ETHANEDIOL × 6 PO4 PHOSPHATE ION × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；20 % PEG3350, 0.2 M calcium acetate	分辨率 2.03 Å R-free 0.219
7T3V Metal dependent activation of Plasmodium falciparum M17 aminopeptidase, spacegroup P22121 after crystals soaked with Zn2+ 提交 2021-12-08	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 A 85–605（521 aa）链 B 85–605（521 aa）链 C 85–605（521 aa）链 D 85–605（521 aa）链 E 85–605（521 aa）链 F 85–605（521 aa）	未记录	CO3 CARBONATE ION × 6 ZN ZINC ION × 12 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；50 mM HEPES pH 8.0, 150 mM NaCl	分辨率 2.30 Å R-free 0.264
8EZ4 Plasmodium falciparum M17 in complex with inhibitor 9aa 提交 2022-10-31	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 A 85–605（521 aa）链 B 85–605（521 aa）链 C 85–605（521 aa）链 D 85–605（521 aa）链 E 85–605（521 aa）链 F 85–605（521 aa）	未记录	X10 N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-N~2~-phenylglycinamide × 6 SO4 SULFATE ION × 7 1PE PENTAETHYLENE GLYCOL × 16 CO3 CARBONATE ION × 6 ZN ZINC ION × 12 NA SODIUM ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；30-40% PEG400, 0.1 M Tris pH 7.5-8.5, 0.2 M Li2SO4	分辨率 1.89 Å R-free 0.216
8EZ4 Plasmodium falciparum M17 in complex with inhibitor 9aa 提交 2022-10-31	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 G 85–605（521 aa）链 H 85–605（521 aa）链 I 85–605（521 aa）链 J 85–605（521 aa）链 K 85–605（521 aa）链 L 85–605（521 aa）	未记录	X10 N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-N~2~-phenylglycinamide × 6 SO4 SULFATE ION × 6 1PE PENTAETHYLENE GLYCOL × 14 CO3 CARBONATE ION × 6 ZN ZINC ION × 12 NA SODIUM ION × 5 2PE NONAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；30-40% PEG400, 0.1 M Tris pH 7.5-8.5, 0.2 M Li2SO4	分辨率 1.89 Å R-free 0.216
8SVM Plasmodium falciparum M17 aminopeptidase bound to MMV1557817 提交 2023-05-17	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 A 84–605（522 aa）链 B 84–605（522 aa）链 C 84–605（522 aa）链 D 84–605（522 aa）链 E 84–605（522 aa）链 F 84–605（522 aa）	未记录	CO3 CARBONATE ION × 6 ZN ZINC ION × 12 WRC N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-3,3-dimethylbutanamide × 6 1PE PENTAETHYLENE GLYCOL × 15 SO4 SULFATE ION × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；40% (v/v) PEG 400, 0.1 M Tris pH 8.5, 0.2 M Li2SO4	分辨率 2.30 Å R-free 0.252
8SVM Plasmodium falciparum M17 aminopeptidase bound to MMV1557817 提交 2023-05-17	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 G 84–605（522 aa）链 H 84–605（522 aa）链 I 84–605（522 aa）链 J 84–605（522 aa）链 K 84–605（522 aa）链 L 84–605（522 aa）	未记录	CO3 CARBONATE ION × 6 ZN ZINC ION × 12 WRC N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-3,3-dimethylbutanamide × 6 1PE PENTAETHYLENE GLYCOL × 13 SO4 SULFATE ION × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；40% (v/v) PEG 400, 0.1 M Tris pH 8.5, 0.2 M Li2SO4	分辨率 2.30 Å R-free 0.252
8SW9 Plasmodium falciparum M17 (A460S) mutant 提交 2023-05-17	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 A 84–605（522 aa）链 B 84–605（522 aa）链 C 84–605（522 aa）链 D 84–605（522 aa）链 E 84–605（522 aa）链 F 84–605（522 aa）	未记录	ZN ZINC ION × 12 CO3 CARBONATE ION × 6 SO4 SULFATE ION × 8 1PE PENTAETHYLENE GLYCOL × 12	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；40% (v/v) PEG 400, 0.1 M Tris pH 8.5, 0.2 M Li2SO4	分辨率 2.60 Å R-free 0.281
8SW9 Plasmodium falciparum M17 (A460S) mutant 提交 2023-05-17	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 G 84–605（522 aa）链 H 84–605（522 aa）链 I 84–605（522 aa）链 J 84–605（522 aa）链 K 84–605（522 aa）链 L 84–605（522 aa）	未记录	ZN ZINC ION × 12 CO3 CARBONATE ION × 6 SO4 SULFATE ION × 9 1PE PENTAETHYLENE GLYCOL × 8	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；40% (v/v) PEG 400, 0.1 M Tris pH 8.5, 0.2 M Li2SO4	分辨率 2.60 Å R-free 0.281
9YC0 Plasmodium falciparum M17 aminopeptidase (PfA-M17) bound to inhibitor 3ab (MIPS3413) 提交 2025-09-17	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 A 85–605（521 aa）链 B 85–605（521 aa）链 C 85–605（521 aa）链 D 85–605（521 aa）链 E 85–605（521 aa）链 F 85–605（521 aa）	突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q	ZN ZINC ION × 12 CO3 CARBONATE ION × 6 PEG DI(HYDROXYETHYL)ETHER × 20 SO4 SULFATE ION × 29 A1CT4 N-[(1R)-1-(1,3-benzothiazol-5-yl)-2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide × 6 1PE PENTAETHYLENE GLYCOL × 16 DMS DIMETHYL SULFOXIDE × 7 2PE NONAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；30-40% PEG400, 0.1 M Tris pH 7.5-8.5, 0.2 M Li2SO4	分辨率 2.37 Å R-free 0.271
9YC0 Plasmodium falciparum M17 aminopeptidase (PfA-M17) bound to inhibitor 3ab (MIPS3413) 提交 2025-09-17	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 G 85–605（521 aa）链 H 85–605（521 aa）链 I 85–605（521 aa）链 J 85–605（521 aa）链 K 85–605（521 aa）链 L 85–605（521 aa）	突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q 突变：N152Q, N515Q, N546Q	ZN ZINC ION × 12 CO3 CARBONATE ION × 6 PEG DI(HYDROXYETHYL)ETHER × 16 SO4 SULFATE ION × 30 A1CT4 N-[(1R)-1-(1,3-benzothiazol-5-yl)-2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide × 5 1PE PENTAETHYLENE GLYCOL × 21 DMS DIMETHYL SULFOXIDE × 6 2PE NONAETHYLENE GLYCOL × 1 A1CT5 N-[(1S)-1-(1,3-benzothiazol-5-yl)-2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；30-40% PEG400, 0.1 M Tris pH 7.5-8.5, 0.2 M Li2SO4	分辨率 2.37 Å R-free 0.271
9YC7 Plasmodium falciparum M17 aminopeptidase (PfA-M17) bound to inhibitor 3k (MIPS3415) 提交 2025-09-18	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 A 85–605（521 aa）链 B 85–605（521 aa）链 C 85–605（521 aa）链 D 85–605（521 aa）链 E 85–605（521 aa）链 F 85–605（521 aa）	未记录	ZN ZINC ION × 12 CO3 CARBONATE ION × 6 PEG DI(HYDROXYETHYL)ETHER × 23 DMS DIMETHYL SULFOXIDE × 10 SO4 SULFATE ION × 12 GOL GLYCEROL × 1 A1CTH N-[(1R)-2-(hydroxyamino)-2-oxo-1-(quinolin-7-yl)ethyl]-3,3-dimethylbutanamide × 1 1PE PENTAETHYLENE GLYCOL × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；30-40% PEG400, 0.1 M Tris pH 7.5-8.5, 0.2 M Li2SO4	分辨率 2.37 Å R-free 0.287
9YC7 Plasmodium falciparum M17 aminopeptidase (PfA-M17) bound to inhibitor 3k (MIPS3415) 提交 2025-09-18	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 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 G 85–605（521 aa）链 H 85–605（521 aa）链 I 85–605（521 aa）链 J 85–605（521 aa）链 K 85–605（521 aa）链 L 85–605（521 aa）	未记录	ZN ZINC ION × 12 CO3 CARBONATE ION × 6 PEG DI(HYDROXYETHYL)ETHER × 20 DMS DIMETHYL SULFOXIDE × 9 SO4 SULFATE ION × 11 GOL GLYCEROL × 1 1PE PENTAETHYLENE GLYCOL × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；30-40% PEG400, 0.1 M Tris pH 7.5-8.5, 0.2 M Li2SO4	分辨率 2.37 Å R-free 0.287

共 16 个其他 PDB 条目、30 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	Q8IL11_PLAF7
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–522； UniProt 84–605 作者链 B； PDB构建体 1–522； UniProt 84–605 作者链 C； PDB构建体 1–522； UniProt 84–605 作者链 D； PDB构建体 1–522； UniProt 84–605 作者链 E； PDB构建体 1–522； UniProt 84–605 作者链 F； PDB构建体 1–522； UniProt 84–605 作者链 G； PDB构建体 1–522； UniProt 84–605 作者链 H； PDB构建体 1–522； UniProt 84–605 作者链 I； PDB构建体 1–522； UniProt 84–605 作者链 J； PDB构建体 1–522； UniProt 84–605 作者链 K； PDB构建体 1–522； UniProt 84–605 作者链 L； PDB构建体 1–522； UniProt 84–605

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	4r7m
沉积日期 deposition_date	2014-08-28
结构标题 title	Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
关键词 keywords	PROTEASE, HYDROLASE-HYDROLASE INHIBITOR complex; HYDROLASE/HYDROLASE INHIBITOR
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	70.57 Å
回转半径 Rg (电子) rg_electron	70.80 Å
零角强度 I(0) i0	5898840000.00
分子量 molecular_weight	671750.0 kDa
排除体积 excluded_volume	847150 Å³
包络体积 envelope_volume	1132900 Å³
水化壳体积 shell_volume	132320 Å³
包络直径 envelope_diameter	242.8 Å
壳层 Rg shell_rg	69.67 Å
包络 Rg envelope_rg	69.48 Å
形状 Rg shape_rg	70.82 Å
总 Rg total_rg	70.69 Å
总原子数 total_atoms	47253
残基数 n_residues	6149
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	210.0 Å
Rg (实空间) rg_real	70.52 Å
Rg 误差 (实空间) rg_real_error	1.13 Å
I(0) (实空间) i0_real	5.8850e+09
I(0) 误差 (实空间) i0_real_error	1.0970e+08
Rg (倒空间) rg_reciprocal	69.40 Å
I(0) (倒空间) i0_reciprocal	5882000000.0000
解质量估计 total_estimate	0.8056
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	57.3 Å
偏度 Skewness skewness	0.401
峰度 Kurtosis kurtosis	-0.698
角度范围 angular_range	— – 0.1100 Å⁻¹
当前正则化参数 α current_alpha	0.0158
最高正则化参数 α highest_alpha	1955000000.0000
实空间数据点数 n_real_points	23
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.828; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.981; Smooth: 0.002

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

▶

6. 实体与聚合物信息 Entities & Polymers (8)

实体 1 Entity 1 polymer

描述 description	M17 leucyl aminopeptidase
分子量 formula_weight	58709.0 kDa
突变 mutation	D152N, D515N, D516N
来源方法 src_method	man
拷贝数 entity_count	12

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D,E,F,G,H,I,J,K,L
原子数 atom_count	47476

MASEVPQVVSLDPTSIPIEYNTPIHDIKVQVYDIKGGCNVEEGLTIFLVNNPGKENGPVKISSKVNDKQVSEFLKDENMEKFNVKLGTSKHFYMFNDNKNSVAVGYVGCGSVADLSEADMKRVVLSLVTMLHDNKLSKLTVVFEINVDKNLFRFFLETLFYEYMTDERFKSTDKNVNMEYIKHLGVYINNADTYKEEVEKARVYYFGTYYASQLIAAPSNYCNPVSLSNAAVELAQKLNLEYKILGVKELEELKMGAYLSVGKGSMYPNKFIHLTYKSKGDVKKKIALVGKGITFDSGGYNLKAAPGSMIDLMKFDMSGCAAVLGCAYCVGTLKPENVEIHFLSAVCENMVSKNSYRPGDIITASNGKTIEVGNTDAEGRLTLADALVYAEKLGVDYIVDIATLTGAMLYSLGTSYAGVFGNNEELINKILQSSKTSNEPVWWLPIINEYRATLNSKYADINQISSSVKASSIVASLFLKEFVQNTAWAHIDIAGVSWNFKARKPKGFGVRLLTEFVLNDALHHHHHH

来源 Source

来源生物 organism	Plasmodium falciparum 3D7
NCBI 分类编号 ncbi_taxonomy_id	36329
宿主生物 host_organism	Escherichia coli

实体 2 Entity 2 non-polymer

描述 description	ZINC ION
分子量 formula_weight	65.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	24

实体 3 Entity 3 non-polymer

描述 description	CARBONATE ION
分子量 formula_weight	60.0 kDa
来源方法 src_method	syn
拷贝数 entity_count	12

实体 4 Entity 4 non-polymer

描述 description	PENTAETHYLENE GLYCOL
分子量 formula_weight	238.3 kDa
来源方法 src_method	syn
拷贝数 entity_count	11

实体 5 Entity 5 non-polymer

描述 description	4-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide
分子量 formula_weight	351.4 kDa
来源方法 src_method	syn
拷贝数 entity_count	12

实体 6 Entity 6 non-polymer

描述 description	SULFATE ION
分子量 formula_weight	96.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	8

实体 7 Entity 7 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	1

实体 8 Entity 8 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	218

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7. 折叠分类 (SCOP + CATH) 24 domains

CATH v4.4 (24 domains)

结构域编号 domain_id	4r7mA01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	220 — Leucine Aminopeptidase, subunit E; domain 1
同源超家族 H-superfamily homologous superfamily	10 — Leucine Aminopeptidase, subunit E, domain 1

结构域编号 domain_id	4r7mA02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	630 — Aminopeptidase
同源超家族 H-superfamily homologous superfamily	10 — Zn peptidases

结构域编号 domain_id	4r7mB01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	220 — Leucine Aminopeptidase, subunit E; domain 1
同源超家族 H-superfamily homologous superfamily	10 — Leucine Aminopeptidase, subunit E, domain 1

结构域编号 domain_id	4r7mB02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	630 — Aminopeptidase
同源超家族 H-superfamily homologous superfamily	10 — Zn peptidases

结构域编号 domain_id	4r7mC01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	220 — Leucine Aminopeptidase, subunit E; domain 1
同源超家族 H-superfamily homologous superfamily	10 — Leucine Aminopeptidase, subunit E, domain 1

结构域编号 domain_id	4r7mC02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	630 — Aminopeptidase
同源超家族 H-superfamily homologous superfamily	10 — Zn peptidases

结构域编号 domain_id	4r7mD01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	220 — Leucine Aminopeptidase, subunit E; domain 1
同源超家族 H-superfamily homologous superfamily	10 — Leucine Aminopeptidase, subunit E, domain 1

结构域编号 domain_id	4r7mD02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	630 — Aminopeptidase
同源超家族 H-superfamily homologous superfamily	10 — Zn peptidases

结构域编号 domain_id	4r7mE01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	220 — Leucine Aminopeptidase, subunit E; domain 1
同源超家族 H-superfamily homologous superfamily	10 — Leucine Aminopeptidase, subunit E, domain 1

结构域编号 domain_id	4r7mE02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	630 — Aminopeptidase
同源超家族 H-superfamily homologous superfamily	10 — Zn peptidases

结构域编号 domain_id	4r7mF01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	220 — Leucine Aminopeptidase, subunit E; domain 1
同源超家族 H-superfamily homologous superfamily	10 — Leucine Aminopeptidase, subunit E, domain 1

结构域编号 domain_id	4r7mF02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	630 — Aminopeptidase
同源超家族 H-superfamily homologous superfamily	10 — Zn peptidases

结构域编号 domain_id	4r7mG01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	220 — Leucine Aminopeptidase, subunit E; domain 1
同源超家族 H-superfamily homologous superfamily	10 — Leucine Aminopeptidase, subunit E, domain 1

结构域编号 domain_id	4r7mG02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	630 — Aminopeptidase
同源超家族 H-superfamily homologous superfamily	10 — Zn peptidases

结构域编号 domain_id	4r7mH01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	220 — Leucine Aminopeptidase, subunit E; domain 1
同源超家族 H-superfamily homologous superfamily	10 — Leucine Aminopeptidase, subunit E, domain 1

结构域编号 domain_id	4r7mH02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	630 — Aminopeptidase
同源超家族 H-superfamily homologous superfamily	10 — Zn peptidases

结构域编号 domain_id	4r7mI01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	220 — Leucine Aminopeptidase, subunit E; domain 1
同源超家族 H-superfamily homologous superfamily	10 — Leucine Aminopeptidase, subunit E, domain 1

结构域编号 domain_id	4r7mI02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	630 — Aminopeptidase
同源超家族 H-superfamily homologous superfamily	10 — Zn peptidases

结构域编号 domain_id	4r7mJ01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	220 — Leucine Aminopeptidase, subunit E; domain 1
同源超家族 H-superfamily homologous superfamily	10 — Leucine Aminopeptidase, subunit E, domain 1

结构域编号 domain_id	4r7mJ02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	630 — Aminopeptidase
同源超家族 H-superfamily homologous superfamily	10 — Zn peptidases

结构域编号 domain_id	4r7mK01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	220 — Leucine Aminopeptidase, subunit E; domain 1
同源超家族 H-superfamily homologous superfamily	10 — Leucine Aminopeptidase, subunit E, domain 1

结构域编号 domain_id	4r7mK02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	630 — Aminopeptidase
同源超家族 H-superfamily homologous superfamily	10 — Zn peptidases

结构域编号 domain_id	4r7mL01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	220 — Leucine Aminopeptidase, subunit E; domain 1
同源超家族 H-superfamily homologous superfamily	10 — Leucine Aminopeptidase, subunit E, domain 1

结构域编号 domain_id	4r7mL02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	630 — Aminopeptidase
同源超家族 H-superfamily homologous superfamily	10 — Zn peptidases

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8. 引用文献 (1)

▶

晶胞边长 a length_a	172.560 Å
晶胞边长 b length_b	175.590 Å
晶胞边长 c length_c	225.480 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.00 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	48

空间群 space_group	P 21 21 21
空间群编号 int_tables_number	19
晶系 crystal_system	—

分辨率 resolution	2.850 Å
最低分辨率 resolution_low	36.010 Å
R 因子 r_factor	0.2401
R_work r_work	0.2375
R_free r_free	0.2909

fit	/app/data/saxs_computation/r7/4r7m/4r7m.fit
pddf	/app/data/pr_computation/r7/4r7m/4r7m.pr.out
profile	/app/data/saxs_computation/r7/4r7m/4r7m.dat