6vmk

Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12

Method: X-RAY DIFFRACTION D_max: 275.6 Å Quality: GOOD

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

Complement factor D

Homo sapiens

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	蛋白异源复合物异源复合物蛋白 × 3 PDB 声明：trimeric（3）与蛋白拷贝数一致	链 W； UniProt 26–253	未记录	Fab Y49R light chain × 1 Fab Y49R heavy chain × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；0.1 M sodium citrate pH 5.0, 8% PEG 8000	分辨率 3.01 Å R-free 0.215
10	蛋白异源复合物异源复合物蛋白 × 3 PDB 声明：trimeric（3）与蛋白拷贝数一致	链 d； UniProt 26–253	未记录	Fab Y49R light chain × 1 Fab Y49R heavy chain × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；0.1 M sodium citrate pH 5.0, 8% PEG 8000	分辨率 3.01 Å R-free 0.215
11	蛋白异源复合物异源复合物蛋白 × 3 PDB 声明：trimeric（3）与蛋白拷贝数一致	链 g； UniProt 26–253	未记录	Fab Y49R light chain × 1 Fab Y49R heavy chain × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；0.1 M sodium citrate pH 5.0, 8% PEG 8000	分辨率 3.01 Å R-free 0.215
12	蛋白异源复合物异源复合物蛋白 × 3 PDB 声明：trimeric（3）与蛋白拷贝数一致	链 j； UniProt 26–253	未记录	Fab Y49R light chain × 1 Fab Y49R heavy chain × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；0.1 M sodium citrate pH 5.0, 8% PEG 8000	分辨率 3.01 Å R-free 0.215
13	蛋白异源复合物异源复合物蛋白 × 3 PDB 声明：trimeric（3）与蛋白拷贝数一致	链 m； UniProt 26–253	未记录	Fab Y49R light chain × 1 Fab Y49R heavy chain × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；0.1 M sodium citrate pH 5.0, 8% PEG 8000	分辨率 3.01 Å R-free 0.215
14	蛋白异源复合物异源复合物蛋白 × 3 PDB 声明：trimeric（3）与蛋白拷贝数一致	链 p； UniProt 26–253	未记录	Fab Y49R light chain × 1 Fab Y49R heavy chain × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；0.1 M sodium citrate pH 5.0, 8% PEG 8000	分辨率 3.01 Å R-free 0.215
15	蛋白异源复合物异源复合物蛋白 × 3 PDB 声明：trimeric（3）与蛋白拷贝数一致	链 s； UniProt 26–253	未记录	Fab Y49R light chain × 1 Fab Y49R heavy chain × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；0.1 M sodium citrate pH 5.0, 8% PEG 8000	分辨率 3.01 Å R-free 0.215
16	蛋白异源复合物异源复合物蛋白 × 3 PDB 声明：trimeric（3）与蛋白拷贝数一致	链 v； UniProt 26–253	未记录	Fab Y49R light chain × 1 Fab Y49R heavy chain × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；0.1 M sodium citrate pH 5.0, 8% PEG 8000	分辨率 3.01 Å R-free 0.215
2	蛋白异源复合物异源复合物蛋白 × 3 PDB 声明：trimeric（3）与蛋白拷贝数一致	链 C； UniProt 26–253	未记录	Fab Y49R light chain × 1 Fab Y49R heavy chain × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；0.1 M sodium citrate pH 5.0, 8% PEG 8000	分辨率 3.01 Å R-free 0.215
3	蛋白异源复合物异源复合物蛋白 × 3 PDB 声明：trimeric（3）与蛋白拷贝数一致	链 F； UniProt 26–253	未记录	Fab Y49R light chain × 1 Fab Y49R heavy chain × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；0.1 M sodium citrate pH 5.0, 8% PEG 8000	分辨率 3.01 Å R-free 0.215
4	蛋白异源复合物异源复合物蛋白 × 3 PDB 声明：trimeric（3）与蛋白拷贝数一致	链 I； UniProt 26–253	未记录	Fab Y49R light chain × 1 Fab Y49R heavy chain × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；0.1 M sodium citrate pH 5.0, 8% PEG 8000	分辨率 3.01 Å R-free 0.215
5	蛋白异源复合物异源复合物蛋白 × 3 PDB 声明：trimeric（3）与蛋白拷贝数一致	链 N； UniProt 26–253	未记录	Fab Y49R light chain × 1 Fab Y49R heavy chain × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；0.1 M sodium citrate pH 5.0, 8% PEG 8000	分辨率 3.01 Å R-free 0.215
6	蛋白异源复合物异源复合物蛋白 × 3 PDB 声明：trimeric（3）与蛋白拷贝数一致	链 Q； UniProt 26–253	未记录	Fab Y49R light chain × 1 Fab Y49R heavy chain × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；0.1 M sodium citrate pH 5.0, 8% PEG 8000	分辨率 3.01 Å R-free 0.215
7	蛋白异源复合物异源复合物蛋白 × 3 PDB 声明：trimeric（3）与蛋白拷贝数一致	链 T； UniProt 26–253	未记录	Fab Y49R light chain × 1 Fab Y49R heavy chain × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；0.1 M sodium citrate pH 5.0, 8% PEG 8000	分辨率 3.01 Å R-free 0.215
8	蛋白异源复合物异源复合物蛋白 × 3 PDB 声明：trimeric（3）与蛋白拷贝数一致	链 X； UniProt 26–253	未记录	Fab Y49R light chain × 1 Fab Y49R heavy chain × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；0.1 M sodium citrate pH 5.0, 8% PEG 8000	分辨率 3.01 Å R-free 0.215
9	蛋白异源复合物异源复合物蛋白 × 3 PDB 声明：trimeric（3）与蛋白拷贝数一致	链 a； UniProt 26–253	未记录	Fab Y49R light chain × 1 Fab Y49R heavy chain × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件：VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；0.1 M sodium citrate pH 5.0, 8% PEG 8000	分辨率 3.01 Å R-free 0.215

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 6VMK	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
1BIO HUMAN COMPLEMENT FACTOR D IN COMPLEX WITH ISATOIC ANHYDRIDE INHIBITOR 提交 1998-06-18	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	未记录	SOA ISATOIC ANHYDRIDE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6.4；pH 6.4	分辨率 1.50 Å R-free 0.191
1DFP FACTOR D INHIBITED BY DIISOPROPYL FLUOROPHOSPHATE 提交 1997-02-18	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 26–253（228 aa）链 B 26–253（228 aa）	未记录	DFP DIISOPROPYL PHOSPHONATE × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；INHIBITED PROTEIN WAS CRYSTALLIZED FROM 12-16% PEG 6000 AND 0.2 M NACL,50MM MES BUFFER, PH=5.6-5.8.	分辨率 2.40 Å R-free 0.228
1DIC STRUCTURE OF 3,4-DICHLOROISOCOUMARIN-INHIBITED FACTOR D 提交 1998-07-08	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	未记录	DIC 3,4-DICHLOROISOCOUMARIN × 1 O OXYGEN ATOM × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5.6；pH 5.6	分辨率 1.80 Å R-free 0.251
1DST MUTANT OF FACTOR D WITH ENHANCED CATALYTIC ACTIVITY 提交 1995-09-13	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	突变：S94Y, T214S, S215W	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 6.8；pH 6.8	分辨率 2.00 Å R-free 0.213
1DSU HUMAN FACTOR D, COMPLEMENT ACTIVATING ENZYME 提交 1995-09-15	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 26–253（228 aa）链 B 26–253（228 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.00 Å R-free 0.203
1FDP PROENZYME OF HUMAN COMPLEMENT FACTOR D, RECOMBINANT PROFACTOR D 提交 1998-12-03	构建体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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 19–253（235 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.2；298 K；CRYSTALLIZATION CONDITIONS: THE RESERVOIR SOLUTION CONTAINED 10-12% PEG-6000 AND 30MM MES (PH5.2). THE DROPS CONTAINED EQUAL VOLUME OF RESERVOIR SOLUTION AND PROTEIN SOLUTION (10MG/ML), VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.10 Å R-free 0.251
1FDP PROENZYME OF HUMAN COMPLEMENT FACTOR D, RECOMBINANT PROFACTOR D 提交 1998-12-03	构建体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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 19–253（235 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.2；298 K；CRYSTALLIZATION CONDITIONS: THE RESERVOIR SOLUTION CONTAINED 10-12% PEG-6000 AND 30MM MES (PH5.2). THE DROPS CONTAINED EQUAL VOLUME OF RESERVOIR SOLUTION AND PROTEIN SOLUTION (10MG/ML), VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.10 Å R-free 0.251
1FDP PROENZYME OF HUMAN COMPLEMENT FACTOR D, RECOMBINANT PROFACTOR D 提交 1998-12-03	构建体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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 19–253（235 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.2；298 K；CRYSTALLIZATION CONDITIONS: THE RESERVOIR SOLUTION CONTAINED 10-12% PEG-6000 AND 30MM MES (PH5.2). THE DROPS CONTAINED EQUAL VOLUME OF RESERVOIR SOLUTION AND PROTEIN SOLUTION (10MG/ML), VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.10 Å R-free 0.251
1FDP PROENZYME OF HUMAN COMPLEMENT FACTOR D, RECOMBINANT PROFACTOR D 提交 1998-12-03	构建体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 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 19–253（235 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.2；298 K；CRYSTALLIZATION CONDITIONS: THE RESERVOIR SOLUTION CONTAINED 10-12% PEG-6000 AND 30MM MES (PH5.2). THE DROPS CONTAINED EQUAL VOLUME OF RESERVOIR SOLUTION AND PROTEIN SOLUTION (10MG/ML), VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.10 Å R-free 0.251
1HFD HUMAN COMPLEMENT FACTOR D IN A P21 CRYSTAL FORM 提交 1998-06-18	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 5.4；pH 5.4	分辨率 2.30 Å R-free 0.216
2XW9 Crystal Structure of Complement Factor D mutant S183A 提交 2010-11-01	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	突变：YES	GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 6；pH 6.0	分辨率 1.20 Å R-free 0.176
2XWA Crystal Structure of Complement Factor D Mutant R202A 提交 2010-11-01	突变/修饰不同聚集状态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 26–253（228 aa）	突变：YES	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6；pH 6.0	分辨率 2.80 Å R-free 0.283
2XWA Crystal Structure of Complement Factor D Mutant R202A 提交 2010-11-01	突变/修饰不同聚集状态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 26–253（228 aa）	突变：YES	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6；pH 6.0	分辨率 2.80 Å R-free 0.283
2XWB Crystal Structure of Complement C3b in complex with Factors B and D 提交 2010-11-01	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 其他组合异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 J 26–253（228 aa）	突变：YES	MG MAGNESIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.7；PH 7.7	分辨率 3.49 Å R-free 0.244
2XWB Crystal Structure of Complement C3b in complex with Factors B and D 提交 2010-11-01	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 其他组合异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 I 26–253（228 aa）	突变：YES	MG MAGNESIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.7；PH 7.7	分辨率 3.49 Å R-free 0.244
2XWB Crystal Structure of Complement C3b in complex with Factors B and D 提交 2010-11-01	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 其他组合异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 J 26–253（228 aa）	突变：YES	MG MAGNESIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.7；PH 7.7	分辨率 3.49 Å R-free 0.244
2XWB Crystal Structure of Complement C3b in complex with Factors B and D 提交 2010-11-01	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 4 其他组合异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 I 26–253（228 aa）	突变：YES	MG MAGNESIUM ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7.7；PH 7.7	分辨率 3.49 Å R-free 0.244
4CBN Crystal structure of Complement Factor D mutant R202A after conventional refinement 提交 2013-10-15	构建体不同突变/修饰不同聚集状态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 26–253（228 aa）片段：RESIDUES 26-253	突变：YES	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 15% PEG 6000, 50 MM MES/NAOH, PH 6.0	分辨率 1.80 Å R-free 0.219
4CBN Crystal structure of Complement Factor D mutant R202A after conventional refinement 提交 2013-10-15	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 26–253（228 aa）片段：RESIDUES 26-253	突变：YES	GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 15% PEG 6000, 50 MM MES/NAOH, PH 6.0	分辨率 1.80 Å R-free 0.219
4CBO Crystal structure of Complement Factor D mutant R202A after ensemble refinement 提交 2013-10-15	构建体不同突变/修饰不同聚集状态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 26–253（228 aa）片段：RESIDUES 26-253	突变：YES	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 15% PEG 6000, 50 MM MES/NAOH PH 6.0	分辨率 1.80 Å R-free 0.212
4CBO Crystal structure of Complement Factor D mutant R202A after ensemble refinement 提交 2013-10-15	构建体不同突变/修饰不同聚集状态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 26–253（228 aa）片段：RESIDUES 26-253	突变：YES	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 15% PEG 6000, 50 MM MES/NAOH PH 6.0	分辨率 1.80 Å R-free 0.212
4D9R Inhibiting Alternative Pathway Complement Activation by Targeting the Exosite on Factor D 提交 2012-01-11	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 × 3 PDB 声明：trimeric	链 A 26–253（228 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.1 M Tris-HCl, 0.02 M NH4PO4, MPD 50.0% v/v, 0.01 M hexamine cobalt (III) chloride, pH 8.5, vapor diffusion, hanging drop, temperature 277K	分辨率 2.42 Å R-free 0.251
4D9R Inhibiting Alternative Pathway Complement Activation by Targeting the Exosite on Factor D 提交 2012-01-11	配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 B 26–253（228 aa）	未记录	CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.1 M Tris-HCl, 0.02 M NH4PO4, MPD 50.0% v/v, 0.01 M hexamine cobalt (III) chloride, pH 8.5, vapor diffusion, hanging drop, temperature 277K	分辨率 2.42 Å R-free 0.251
5FBE COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND2 提交 2015-12-14	构建体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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）片段：UNP residues 26-253	未记录	GOL GLYCEROL × 1 5W5 methyl 2-[[[(2~{S})-2-[[3-(trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-yl]carbonylamino]methyl]benzoate × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；1 MICROLITER PROTEIN SOLUTION WAS MIXED WITH 1 MICROLITER RESERVOIR SOLUTION. PROTEIN SOLUTION: 18 mg/mL FD, 10 mM Tris pH 7.0, 100 mM NaCl; RESERVOIR SOLUTION: 22% PEG3350, 100 mM HEPES pH 7.5; SOAKING AND CRYO: ADDITION of 10 mM COMPOUND2 for 45 min FOLLOWED by the ADDITION OF 0.5 MICROLITER GLYCEROL AND FLASH FREEZING IN LIQUIT NITROGEN.	分辨率 1.43 Å R-free 0.188
5FBI COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 3b 提交 2015-12-14	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	未记录	GOL GLYCEROL × 1 5WD 3-[(2-aminocarbonyl-1~{H}-indol-5-yl)oxymethyl]benzoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；1 Microliter of protein solution was mixed with 1 microliter of reservoir solution. Protein solution: 18.3 mg/ml factor D, 10 mM Tris pH 7.0, 100 mM sodium chloride; Reservoir solution: 22% PEG3350, 100 mM HEPES pH 7.5; Soaking and cryo: 0.5 ul 100 mM compound 3b in 90% DMSO was added to the crystal containing drop and incubated for 45 min followed by the addition of 0.5 ul glyerol and flash freezing in liquid nitrogen.	分辨率 1.47 Å R-free 0.196
5FCK COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 5 提交 2015-12-15	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	未记录	5WC 1-[2-[(1~{R},3~{S},5~{R})-3-[[(1~{R})-1-(3-chloranyl-2-fluoranyl-phenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]pyrazolo[3,4-c]pyridine-3-carboxamide × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；1 uL FD solution (18 mg/mL FD, 10 mM Tris pH 7.0, 100 mM NaCl) was mixed with 1 uL reservoir solution (25% PEG3350, 100 mM TRIS pH 8.0) and equilibrated against 1 mL reservoir solution.	分辨率 1.86 Å R-free 0.237
5MT0 COMPLEMENT FACTOR D IN COMPLEX WITH A REVERSIBLE INDOLE CARBOXYLIC ACID BASED INHIBITOR 提交 2017-01-06	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	未记录	QJS 5-fluoranyl-3-[[(1~{S},2~{S})-2-phenylcyclopropyl]carbonylamino]-1~{H}-indole-2-carboxylic acid × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；25% PEG3350, 100 mM BIS-TRIS pH 6.5	分辨率 1.29 Å R-free 0.196
5MT4 COMPLEMENT FACTOR D IN COMPLEX WITH A REVERSIBLE BENZOIC ACID BASED INHIBITOR 提交 2017-01-06	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	未记录	M7O 2-[(phenylmethyl)carbamoylamino]benzoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；26% PEGME2000, 100mM Bis-Tris pH 6.5	分辨率 1.65 Å R-free 0.239
5NAR Complement factor D in complex with the inhibitor (S)-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide] 提交 2017-02-28	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	未记录	SO4 SULFATE ION × 1 8RW (2~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；298 K；MM NACL, 0.5MM NVP-BVT244-NX-1 + 1 UL RESERVOIR SOLUTION	分辨率 1.55 Å R-free 0.231
5NAT Complement factor D in complex with the inhibitor (S)-Pyrrolidine-1,2-dicarboxylic acid 1-[(1-methyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide] 提交 2017-02-28	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	未记录	GOL GLYCEROL × 2 8RT (2~{S})-~{N}1-(1-methylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；298 K；MM NACL + 1 UL RESERVOIR SOLUTION	分辨率 1.17 Å
5NAW Complement factor D in complex with the inhibitor (1R,3S,5R)-2-Aza-bicyclo[3.1.0]hexane-2,3-dicarboxylic acid 2-[(1-carbamoyl-1H-indol-3-yl)-amide] 3-[(3-trifluoromethoxy-phenyl)-amide] 提交 2017-02-28	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	未记录	8RZ (1~{R},3~{S},5~{R})-~{N}2-(1-aminocarbonylindol-3-yl)-~{N}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；298 K；27% PEG 3350 100 mM HEPES pH 7.5	分辨率 1.25 Å R-free 0.178
5NB6 Complement factor D in complex with the inhibitor (2S,4S)-4-Amino-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide] 提交 2017-03-01	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	未记录	8S2 (2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；298 K；22% PEG3350, 0.1 M HEPES pH 7.5, 50 mM NaCl	分辨率 1.75 Å R-free 0.297
5NB7 Complement factor D 提交 2017-03-01	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	未记录	DMS DIMETHYL SULFOXIDE × 2 8NQ 1-[2-[(1~{R},3~{S},5~{R})-3-[(6-bromanylpyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]indazole-3-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；298 K；22% PEG 3350, 0.1 m HEPES pH 7.5, 50 mM NaCl	分辨率 1.33 Å R-free 0.196
5NBA Complement factor D in complex with the inhibitor (2S,4R)-4-Fluoro-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide] 提交 2017-03-01	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	未记录	8S5 (2~{S},4~{R})-~{N}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；23% PEG 3350, 0.1 M HEPES pH 7.5, 50 mM NaCl	分辨率 1.87 Å R-free 0.260
5TCA Complement Factor D inhibited with JH3 提交 2016-09-14	构建体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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）片段：residues 26-253	未记录	J55 1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.1 M Tris-HCl pH 8.5, 15% PEG 20000	分辨率 3.15 Å R-free 0.264
5TCA Complement Factor D inhibited with JH3 提交 2016-09-14	构建体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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 26–253（228 aa）片段：residues 26-253	未记录	J55 1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.1 M Tris-HCl pH 8.5, 15% PEG 20000	分辨率 3.15 Å R-free 0.264
5TCA Complement Factor D inhibited with JH3 提交 2016-09-14	构建体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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 26–253（228 aa）片段：residues 26-253	未记录	J55 1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.1 M Tris-HCl pH 8.5, 15% PEG 20000	分辨率 3.15 Å R-free 0.264
5TCA Complement Factor D inhibited with JH3 提交 2016-09-14	构建体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 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 26–253（228 aa）片段：residues 26-253	未记录	J55 1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.1 M Tris-HCl pH 8.5, 15% PEG 20000	分辨率 3.15 Å R-free 0.264
5TCA Complement Factor D inhibited with JH3 提交 2016-09-14	构建体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 5 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 26–253（228 aa）片段：residues 26-253	未记录	J55 1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.1 M Tris-HCl pH 8.5, 15% PEG 20000	分辨率 3.15 Å R-free 0.264
5TCA Complement Factor D inhibited with JH3 提交 2016-09-14	构建体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 6 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 F 26–253（228 aa）片段：residues 26-253	未记录	J55 1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.1 M Tris-HCl pH 8.5, 15% PEG 20000	分辨率 3.15 Å R-free 0.264
5TCA Complement Factor D inhibited with JH3 提交 2016-09-14	构建体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 7 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 G 26–253（228 aa）片段：residues 26-253	未记录	J55 1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.1 M Tris-HCl pH 8.5, 15% PEG 20000	分辨率 3.15 Å R-free 0.264
5TCC Complement Factor D inhibited with JH4 提交 2016-09-14	构建体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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）片段：residues 26-253	未记录	J56 (2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M MES pH 6.5 and 25% PEG 8000	分辨率 3.37 Å R-free 0.260
5TCC Complement Factor D inhibited with JH4 提交 2016-09-14	构建体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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 26–253（228 aa）片段：residues 26-253	未记录	J56 (2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M MES pH 6.5 and 25% PEG 8000	分辨率 3.37 Å R-free 0.260
5TCC Complement Factor D inhibited with JH4 提交 2016-09-14	构建体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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 26–253（228 aa）片段：residues 26-253	未记录	J56 (2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M MES pH 6.5 and 25% PEG 8000	分辨率 3.37 Å R-free 0.260
5TCC Complement Factor D inhibited with JH4 提交 2016-09-14	构建体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 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 26–253（228 aa）片段：residues 26-253	未记录	J56 (2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M MES pH 6.5 and 25% PEG 8000	分辨率 3.37 Å R-free 0.260
5TCC Complement Factor D inhibited with JH4 提交 2016-09-14	构建体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 5 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 26–253（228 aa）片段：residues 26-253	未记录	J56 (2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M MES pH 6.5 and 25% PEG 8000	分辨率 3.37 Å R-free 0.260
5TCC Complement Factor D inhibited with JH4 提交 2016-09-14	构建体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 6 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 F 26–253（228 aa）片段：residues 26-253	未记录	J56 (2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M MES pH 6.5 and 25% PEG 8000	分辨率 3.37 Å R-free 0.260
5TCC Complement Factor D inhibited with JH4 提交 2016-09-14	构建体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 7 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 G 26–253（228 aa）片段：residues 26-253	未记录	J56 (2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M MES pH 6.5 and 25% PEG 8000	分辨率 3.37 Å R-free 0.260
6FTY COMPLEMENT FACTOR D COMPLEXED WITH COMPOUND 5 提交 2018-02-26	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	未记录	E7H 4-[[(5~{S},7~{R})-3-azanyl-1-adamantyl]carbonylamino]-1~{H}-indole-2-carboxamide × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；295 K；PEG 3350, 100 mM HEPES pH 7.5	分辨率 1.67 Å R-free 0.214
6FTZ COMPLEMENT FACTOR D COMPLEXED WITH COMPOUND 6 提交 2018-02-26	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	未记录	E7E ~{N}4-[3-(aminomethyl)phenyl]-1~{H}-indole-2,4-dicarboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；295 K；PEG3350, 100 mM HEPES pH 7.5	分辨率 1.67 Å R-free 0.220
6FUG Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol 提交 2018-02-27	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	未记录	E85 3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；25% PEG3350, 100 mM TRIS pH 8.5	分辨率 2.21 Å R-free 0.259
6FUG Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol 提交 2018-02-27	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 26–253（228 aa）	未记录	E85 3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；25% PEG3350, 100 mM TRIS pH 8.5	分辨率 2.21 Å R-free 0.259
6FUG Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol 提交 2018-02-27	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 26–253（228 aa）	未记录	E85 3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；25% PEG3350, 100 mM TRIS pH 8.5	分辨率 2.21 Å R-free 0.259
6FUG Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol 提交 2018-02-27	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 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 26–253（228 aa）	未记录	E85 3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；25% PEG3350, 100 mM TRIS pH 8.5	分辨率 2.21 Å R-free 0.259
6FUG Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol 提交 2018-02-27	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 5 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 26–253（228 aa）	未记录	E85 3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；25% PEG3350, 100 mM TRIS pH 8.5	分辨率 2.21 Å R-free 0.259
6FUG Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol 提交 2018-02-27	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 6 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 F 26–253（228 aa）	未记录	E85 3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；25% PEG3350, 100 mM TRIS pH 8.5	分辨率 2.21 Å R-free 0.259
6FUH Complement factor D in complex with the inhibitor (4-((3-(aminomethyl)phenyl)amino)quinazolin-2-yl)-L-valine 提交 2018-02-27	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	未记录	E88 (2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]-3-methyl-butanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；25% PEG3350, 100 mM TRIS pH 8.5, 200 mM NH4SO2, 2 mM inhibitor	分辨率 1.37 Å R-free 0.180
6FUI Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol 提交 2018-02-27	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	未记录	E7W (1~{R},2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；22-25% PEG3350, 100 mM HEPES pH 7.5	分辨率 1.38 Å R-free 0.198
6FUJ Complement factor D in complex with the inhibitor N-(3'-(aminomethyl)-[1,1'-biphenyl]-3-yl)-3-methylbutanamide 提交 2018-02-27	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	未记录	E8B ~{N}-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-butanamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；22-25% PEG3350, 100 mM HEPES pH 7.5, 2 mM inhibitor	分辨率 2.25 Å R-free 0.244
6FUJ Complement factor D in complex with the inhibitor N-(3'-(aminomethyl)-[1,1'-biphenyl]-3-yl)-3-methylbutanamide 提交 2018-02-27	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 26–253（228 aa）	未记录	E8B ~{N}-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-butanamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；22-25% PEG3350, 100 mM HEPES pH 7.5, 2 mM inhibitor	分辨率 2.25 Å R-free 0.244
6FUJ Complement factor D in complex with the inhibitor N-(3'-(aminomethyl)-[1,1'-biphenyl]-3-yl)-3-methylbutanamide 提交 2018-02-27	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 26–253（228 aa）	未记录	E8B ~{N}-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-butanamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；22-25% PEG3350, 100 mM HEPES pH 7.5, 2 mM inhibitor	分辨率 2.25 Å R-free 0.244
6FUJ Complement factor D in complex with the inhibitor N-(3'-(aminomethyl)-[1,1'-biphenyl]-3-yl)-3-methylbutanamide 提交 2018-02-27	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 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 26–253（228 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；22-25% PEG3350, 100 mM HEPES pH 7.5, 2 mM inhibitor	分辨率 2.25 Å R-free 0.244
6FUJ Complement factor D in complex with the inhibitor N-(3'-(aminomethyl)-[1,1'-biphenyl]-3-yl)-3-methylbutanamide 提交 2018-02-27	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 5 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 26–253（228 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；22-25% PEG3350, 100 mM HEPES pH 7.5, 2 mM inhibitor	分辨率 2.25 Å R-free 0.244
6FUJ Complement factor D in complex with the inhibitor N-(3'-(aminomethyl)-[1,1'-biphenyl]-3-yl)-3-methylbutanamide 提交 2018-02-27	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 6 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 F 26–253（228 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；22-25% PEG3350, 100 mM HEPES pH 7.5, 2 mM inhibitor	分辨率 2.25 Å R-free 0.244
6FUT Complement factor D in complex with the inhibitor (S)-3'-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,1'-biphenyl]-3-carboxamide 提交 2018-02-27	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	未记录	E82 3-[3-(aminomethyl)phenyl]-~{N}-[(1~{S})-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide × 1 SIN SUCCINIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；22-25% PEG3350, 100 mM HEPES pH 7.5	分辨率 1.50 Å R-free 0.184
6QMR Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid 提交 2019-02-08	构建体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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–253（252 aa）	未记录	J6T 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；30% PEG MME 2000, 0.1M sodium thiocyanate	分辨率 2.00 Å R-free 0.256
6QMR Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid 提交 2019-02-08	构建体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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–253（252 aa）	未记录	J6T 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；30% PEG MME 2000, 0.1M sodium thiocyanate	分辨率 2.00 Å R-free 0.256
6QMR Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid 提交 2019-02-08	构建体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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 2–253（252 aa）	未记录	J6T 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；30% PEG MME 2000, 0.1M sodium thiocyanate	分辨率 2.00 Å R-free 0.256
6QMR Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid 提交 2019-02-08	构建体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 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 2–253（252 aa）	未记录	J6T 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；30% PEG MME 2000, 0.1M sodium thiocyanate	分辨率 2.00 Å R-free 0.256
6QMR Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid 提交 2019-02-08	构建体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 5 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 2–253（252 aa）	未记录	J6T 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；30% PEG MME 2000, 0.1M sodium thiocyanate	分辨率 2.00 Å R-free 0.256
6QMR Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid 提交 2019-02-08	构建体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 6 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 F 2–253（252 aa）	未记录	J6T 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；30% PEG MME 2000, 0.1M sodium thiocyanate	分辨率 2.00 Å R-free 0.256
6QMT Complement factor D in complex with the inhibitor 2-(2-(3'-(aminomethyl)-[1,1'-biphenyl]-3-carboxamido)phenyl)acetic acid 提交 2019-02-08	构建体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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 2–253（252 aa）	未记录	J7B 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；25% PEGME 3350, 100 mM Bis-Tris pH 5.5	分辨率 1.80 Å R-free 0.231
6QMT Complement factor D in complex with the inhibitor 2-(2-(3'-(aminomethyl)-[1,1'-biphenyl]-3-carboxamido)phenyl)acetic acid 提交 2019-02-08	构建体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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–253（252 aa）	未记录	J7B 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；25% PEGME 3350, 100 mM Bis-Tris pH 5.5	分辨率 1.80 Å R-free 0.231
6VMJ Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12 提交 2020-01-28	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 × 3 PDB 声明：trimeric	链 Z 26–253（228 aa）	未记录	CIT CITRIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.1 M sodium cacodylate pH 6.5, 1 M sodium citrate	分辨率 2.95 Å R-free 0.265
6VMJ Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12 提交 2020-01-28	配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 Y 26–253（228 aa）	未记录	CIT CITRIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.1 M sodium cacodylate pH 6.5, 1 M sodium citrate	分辨率 2.95 Å R-free 0.265
6VMJ Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12 提交 2020-01-28	配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 X 26–253（228 aa）	未记录	CIT CITRIC ACID × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.1 M sodium cacodylate pH 6.5, 1 M sodium citrate	分辨率 2.95 Å R-free 0.265
6VMJ Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12 提交 2020-01-28	配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白异源复合物异源复合物；蛋白 × 3 PDB 声明：trimeric	链 W 26–253（228 aa）	未记录	CIT CITRIC ACID × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.1 M sodium cacodylate pH 6.5, 1 M sodium citrate	分辨率 2.95 Å R-free 0.265
8D95 Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors 提交 2022-06-09	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	未记录	QIE N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.8；300 K；PEG 6k	分辨率 2.17 Å R-free 0.263
8DEA Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors 提交 2022-06-20	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	未记录	R7X 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；peg4k 25% , 0.1M MES 5.8 buffer	分辨率 2.21 Å R-free 0.300
8DEA Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors 提交 2022-06-20	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 26–253（228 aa）	未记录	R7X 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；peg4k 25% , 0.1M MES 5.8 buffer	分辨率 2.21 Å R-free 0.300
8DEA Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors 提交 2022-06-20	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 26–253（228 aa）	未记录	R7X 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；peg4k 25% , 0.1M MES 5.8 buffer	分辨率 2.21 Å R-free 0.300
8DEA Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors 提交 2022-06-20	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 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 26–253（228 aa）	未记录	R7X 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；peg4k 25% , 0.1M MES 5.8 buffer	分辨率 2.21 Å R-free 0.300
8DG6 Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors 提交 2022-06-23	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 26–253（228 aa）	未记录	S7X 1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.8；300 K；peg4k 20-30%	分辨率 1.99 Å R-free 0.251

共 39 个其他 PDB 条目、83 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	CFAD_HUMAN
Isoform	—
PDB实体	1
链与序列区间	作者链 C； PDB构建体 1–228； UniProt 26–253 作者链 F； PDB构建体 1–228； UniProt 26–253 作者链 I； PDB构建体 1–228； UniProt 26–253 作者链 N； PDB构建体 1–228； UniProt 26–253 作者链 Q； PDB构建体 1–228； UniProt 26–253 作者链 T； PDB构建体 1–228； UniProt 26–253 作者链 W； PDB构建体 1–228； UniProt 26–253 作者链 X； PDB构建体 1–228； UniProt 26–253 作者链 a； PDB构建体 1–228； UniProt 26–253 作者链 d； PDB构建体 1–228； UniProt 26–253 作者链 g； PDB构建体 1–228； UniProt 26–253 作者链 j； PDB构建体 1–228； UniProt 26–253 作者链 m； PDB构建体 1–228； UniProt 26–253 作者链 p； PDB构建体 1–228； UniProt 26–253 作者链 s； PDB构建体 1–228； UniProt 26–253 作者链 v； PDB构建体 1–228； UniProt 26–253

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	6vmk
沉积日期 deposition_date	2020-01-28
结构标题 title	Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12
关键词 keywords	CFD, Factor D, Fab, HYDROLASE, HYDROLASE-IMMUNE SYSTEM complex; HYDROLASE/IMMUNE SYSTEM
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	77.15 Å
回转半径 Rg (电子) rg_electron	77.08 Å
零角强度 I(0) i0	18421900000.00
分子量 molecular_weight	1125200.0 kDa
排除体积 excluded_volume	1396200 Å³
包络体积 envelope_volume	2342600 Å³
水化壳体积 shell_volume	244140 Å³
包络直径 envelope_diameter	274.1 Å
壳层 Rg shell_rg	84.97 Å
包络 Rg envelope_rg	74.32 Å
形状 Rg shape_rg	77.08 Å
总 Rg total_rg	77.17 Å
总原子数 total_atoms	79116
残基数 n_residues	10336
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	275.6 Å
Rg (实空间) rg_real	80.04 Å
Rg 误差 (实空间) rg_real_error	1.62 Å
I(0) (实空间) i0_real	1.8380e+10
I(0) 误差 (实空间) i0_real_error	3.8300e+08
Rg (倒空间) rg_reciprocal	78.06 Å
I(0) (倒空间) i0_reciprocal	18470000000.0000
解质量估计 total_estimate	0.8905
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	96.4 Å
偏度 Skewness skewness	0.509
峰度 Kurtosis kurtosis	0.430
角度范围 angular_range	— – 0.1000 Å⁻¹
当前正则化参数 α current_alpha	1.0590
最高正则化参数 α highest_alpha	1990000000.0000
实空间数据点数 n_real_points	21
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.694; Stabil: 0.903; Sysdev: 1.000; Positv: 1.000; Valcen: 0.948; Smooth: 0.848

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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 (6)

实体 1 Entity 1 polymer

描述 description	Complement factor D
分子量 formula_weight	24438.8 kDa
EC 编号 ec_number	3.4.21.46
来源方法 src_method	man
拷贝数 entity_count	16

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	W,C,F,I,N,Q,T,X,a,d,g,j,m,p,s,v
原子数 atom_count	80635

ILGGREAEAHARPYMASVQLNGAHLCGGVLVAEQWVLSAAHCLEDAADGKVQVLLGAHSLSQPEPSKRLYDVLRAVPHPDSQPDTIDHDLLLLQLSEKATLGPAVRPLPWQRVDRDVAPGTLCDVAGWGIVNHAGRRPDSLQHVLLPVLDRATCNRRTHHDGAITERLMCAESNRRDSCKGDSGGPLVCGGVLEGVVTSGSRVCGNRKKPGIYTRVASYAAWIDSVLA

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	Human
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Cricetulus griseus

实体 2 Entity 2 polymer

描述 description	Fab Y49R light chain
分子量 formula_weight	23354.8 kDa
来源方法 src_method	man
拷贝数 entity_count	16

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	L,A,D,G,J,O,R,U,Y,b,e,h,k,n,q,t

DIQMTQSPSSLSASVGDRVTITCKASQNVDTDVAWFQQKPGKAPKGLIRSASSRYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYNNYPLTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

来源 Source

来源生物 organism	Homo sapiens
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

实体 3 Entity 3 polymer

描述 description	Fab Y49R heavy chain
分子量 formula_weight	23668.4 kDa
来源方法 src_method	man
拷贝数 entity_count	16

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	M,B,E,H,K,P,S,V,Z,c,f,i,l,o,r,u

EVQLVQSGAEVKKPGASVKVSCKASGYTFTSYYMYWVRQAPGQGLEWIGEINPTSGGTNFNEKFKSRATLTVDTSTSTAYLELSSLRSEDTAVYYCAREGGFAYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT

来源 Source

来源生物 organism	Homo sapiens
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

实体 4 Entity 4 non-polymer

描述 description	GLYCEROL
分子量 formula_weight	92.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	16

实体 5 Entity 5 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	12

实体 6 Entity 6 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	1503

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7. 折叠分类 (SCOP + CATH) 100 domains

SCOP 2.08 (39 domains)

结构域编号 domain_id	d6vmka_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.47 — Trypsin-like serine proteases
超家族 Superfamily superfamily	b.47.1 — Trypsin-like serine proteases
家族 Family family	b.47.1.2 — Eukaryotic proteases

结构域编号 domain_id	d6vmkb1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.0 — automated matches

结构域编号 domain_id	d6vmkb2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.2 — C1 set domains (antibody constant domain-like)

结构域编号 domain_id	d6vmkc_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.47 — Trypsin-like serine proteases
超家族 Superfamily superfamily	b.47.1 — Trypsin-like serine proteases
家族 Family family	b.47.1.2 — Eukaryotic proteases

结构域编号 domain_id	d6vmkd_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.47 — Trypsin-like serine proteases
超家族 Superfamily superfamily	b.47.1 — Trypsin-like serine proteases
家族 Family family	b.47.1.2 — Eukaryotic proteases

结构域编号 domain_id	d6vmke1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.0 — automated matches

结构域编号 domain_id	d6vmke2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.2 — C1 set domains (antibody constant domain-like)

结构域编号 domain_id	d6vmkf_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.47 — Trypsin-like serine proteases
超家族 Superfamily superfamily	b.47.1 — Trypsin-like serine proteases
家族 Family family	b.47.1.2 — Eukaryotic proteases

结构域编号 domain_id	d6vmkg_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.47 — Trypsin-like serine proteases
超家族 Superfamily superfamily	b.47.1 — Trypsin-like serine proteases
家族 Family family	b.47.1.2 — Eukaryotic proteases

结构域编号 domain_id	d6vmkh1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.0 — automated matches

结构域编号 domain_id	d6vmkh2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.2 — C1 set domains (antibody constant domain-like)

结构域编号 domain_id	d6vmki_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.47 — Trypsin-like serine proteases
超家族 Superfamily superfamily	b.47.1 — Trypsin-like serine proteases
家族 Family family	b.47.1.2 — Eukaryotic proteases

结构域编号 domain_id	d6vmkj1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.0 — automated matches

结构域编号 domain_id	d6vmkj2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.2 — C1 set domains (antibody constant domain-like)

结构域编号 domain_id	d6vmkk1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.0 — automated matches

结构域编号 domain_id	d6vmkk2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.2 — C1 set domains (antibody constant domain-like)

结构域编号 domain_id	d6vmkl1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.0 — automated matches

结构域编号 domain_id	d6vmkl2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.2 — C1 set domains (antibody constant domain-like)

结构域编号 domain_id	d6vmkm_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.47 — Trypsin-like serine proteases
超家族 Superfamily superfamily	b.47.1 — Trypsin-like serine proteases
家族 Family family	b.47.1.2 — Eukaryotic proteases

结构域编号 domain_id	d6vmkn1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.0 — automated matches

结构域编号 domain_id	d6vmkn2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.2 — C1 set domains (antibody constant domain-like)

结构域编号 domain_id	d6vmko1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.0 — automated matches

结构域编号 domain_id	d6vmko2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.2 — C1 set domains (antibody constant domain-like)

结构域编号 domain_id	d6vmkp_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.47 — Trypsin-like serine proteases
超家族 Superfamily superfamily	b.47.1 — Trypsin-like serine proteases
家族 Family family	b.47.1.2 — Eukaryotic proteases

结构域编号 domain_id	d6vmkq1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.0 — automated matches

结构域编号 domain_id	d6vmkq2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.2 — C1 set domains (antibody constant domain-like)

结构域编号 domain_id	d6vmkr1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.0 — automated matches

结构域编号 domain_id	d6vmkr2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.2 — C1 set domains (antibody constant domain-like)

结构域编号 domain_id	d6vmks_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.47 — Trypsin-like serine proteases
超家族 Superfamily superfamily	b.47.1 — Trypsin-like serine proteases
家族 Family family	b.47.1.2 — Eukaryotic proteases

结构域编号 domain_id	d6vmkt1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.0 — automated matches

结构域编号 domain_id	d6vmkt2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.2 — C1 set domains (antibody constant domain-like)

结构域编号 domain_id	d6vmku1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.0 — automated matches

结构域编号 domain_id	d6vmku2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.2 — C1 set domains (antibody constant domain-like)

结构域编号 domain_id	d6vmkv_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.47 — Trypsin-like serine proteases
超家族 Superfamily superfamily	b.47.1 — Trypsin-like serine proteases
家族 Family family	b.47.1.2 — Eukaryotic proteases

结构域编号 domain_id	d6vmkw_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.47 — Trypsin-like serine proteases
超家族 Superfamily superfamily	b.47.1 — Trypsin-like serine proteases
家族 Family family	b.47.1.2 — Eukaryotic proteases

结构域编号 domain_id	d6vmkx_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.47 — Trypsin-like serine proteases
超家族 Superfamily superfamily	b.47.1 — Trypsin-like serine proteases
家族 Family family	b.47.1.2 — Eukaryotic proteases

结构域编号 domain_id	d6vmky1
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.0 — automated matches

结构域编号 domain_id	d6vmky2
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.2 — C1 set domains (antibody constant domain-like)

结构域编号 domain_id	d6vmkz_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.1 — Immunoglobulin-like beta-sandwich
超家族 Superfamily superfamily	b.1.1 — Immunoglobulin
家族 Family family	b.1.1.0 — automated matches

CATH v4.4 (61 domains)

结构域编号 domain_id	6vmkA01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkA02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkB01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkB02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkD01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkE01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkE02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkG01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkH01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkH02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkJ01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkJ02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkK01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkK02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkL01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkL02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkM01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkM02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkO01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkP01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkP02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkR01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkR02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkS01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkS02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkU01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkU02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkV01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkV02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkY01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkY02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkZ01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkZ02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkb01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkb02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkc01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkc02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmke01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmke02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkf01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkf02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkh01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkh02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmki01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmki02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkk01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkk02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkl01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkl02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkn01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkn02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmko01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmko02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkq01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkq02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkr01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkr02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkt01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmkt02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmku01
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

结构域编号 domain_id	6vmku02
类 Class class	2 — Mainly Beta
架构 Architecture architecture	60 — Sandwich
拓扑 Topology topology	40 — Immunoglobulin-like
同源超家族 H-superfamily homologous superfamily	10 — Immunoglobulins

▶

8. 引用文献 (1)

▶

晶胞边长 a length_a	263.704 Å
晶胞边长 b length_b	301.454 Å
晶胞边长 c length_c	458.842 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	128

空间群 space_group	I 2 2 2
空间群编号 int_tables_number	23
晶系 crystal_system	—

分辨率 resolution	3.010 Å
最低分辨率 resolution_low	49.933 Å
R 因子 r_factor	0.1740
R_work r_work	0.1738
R_free r_free	0.2148

Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12

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

Complement factor D

当前结构中的状态

数据库中的同蛋白其他状态

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

2. 结构基本信息 2. Structure Basics

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

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

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

晶胞参数 Unit Cell

对称性 Symmetry

精修参数 Refinement

衍射实验 Diffraction

6. 实体与聚合物信息 Entities & Polymers (6)

实体 1 Entity 1 polymer

聚合物 Polymer

来源 Source

实体 2 Entity 2 polymer

聚合物 Polymer

来源 Source

实体 3 Entity 3 polymer

聚合物 Polymer

来源 Source

实体 4 Entity 4 non-polymer

实体 5 Entity 5 non-polymer

实体 6 Entity 6 water

7. 折叠分类 (SCOP + CATH) 100 domains

SCOP 2.08 (39 domains)

CATH v4.4 (61 domains)

8. 引用文献 (1)

9. 文件与曲线 (10)

Files (7)

Curves (3)

fit	/app/data/saxs_computation/vm/6vmk/6vmk.fit
pddf	/app/data/pr_computation/vm/6vmk/6vmk.pr.out
profile	/app/data/saxs_computation/vm/6vmk/6vmk.dat