4um3

Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920

Method: X-RAY DIFFRACTION D_max: 255.6 Å Quality: GOOD

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

ACETYLCHOLINE BINDING PROTEIN

LYMNAEA STAGNALIS

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 × 5 PDB 声明：pentameric（5）与蛋白拷贝数一致	链 P； UniProt 1–229 链 Q； UniProt 1–229 链 R； UniProt 1–229 链 S； UniProt 1–229 链 T； UniProt 1–229	突变：YES	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5	X-RAY DIFFRACTION X-ray结晶条件：pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4	分辨率 2.70 Å R-free 0.244
2	蛋白同源多聚体同源多聚体蛋白 × 5 PDB 声明：pentameric（5）与蛋白拷贝数一致	链 U； UniProt 1–229 链 V； UniProt 1–229 链 W； UniProt 1–229 链 X； UniProt 1–229 链 Y； UniProt 1–229	突变：YES	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件：pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4	分辨率 2.70 Å R-free 0.244
3	蛋白同源多聚体同源多聚体蛋白 × 5 PDB 声明：pentameric（5）与蛋白拷贝数一致	链 K； UniProt 1–229 链 L； UniProt 1–229 链 M； UniProt 1–229 链 N； UniProt 1–229 链 O； UniProt 1–229	突变：YES	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件：pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4	分辨率 2.70 Å R-free 0.244
4	蛋白同源多聚体同源多聚体蛋白 × 5 PDB 声明：pentameric（5）与蛋白拷贝数一致	链 j； UniProt 1–229 链 k； UniProt 1–229 链 l； UniProt 1–229 链 m； UniProt 1–229 链 n； UniProt 1–229	突变：YES	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5	X-RAY DIFFRACTION X-ray结晶条件：pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4	分辨率 2.70 Å R-free 0.244
5	蛋白同源多聚体同源多聚体蛋白 × 5 PDB 声明：pentameric（5）与蛋白拷贝数一致	链 e； UniProt 1–229 链 f； UniProt 1–229 链 g； UniProt 1–229 链 h； UniProt 1–229 链 i； UniProt 1–229	突变：YES	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5	X-RAY DIFFRACTION X-ray结晶条件：pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4	分辨率 2.70 Å R-free 0.244
6	蛋白同源多聚体同源多聚体蛋白 × 5 PDB 声明：pentameric（5）与蛋白拷贝数一致	链 Z； UniProt 1–229 链 a； UniProt 1–229 链 b； UniProt 1–229 链 c； UniProt 1–229 链 d； UniProt 1–229	突变：YES	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件：pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4	分辨率 2.70 Å R-free 0.244
7	蛋白同源多聚体同源多聚体蛋白 × 5 PDB 声明：pentameric（5）与蛋白拷贝数一致	链 A； UniProt 1–229 链 B； UniProt 1–229 链 C； UniProt 1–229 链 D； UniProt 1–229 链 E； UniProt 1–229	突变：YES	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件：pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4	分辨率 2.70 Å R-free 0.244
8	蛋白同源多聚体同源多聚体蛋白 × 5 PDB 声明：pentameric（5）与蛋白拷贝数一致	链 F； UniProt 1–229 链 G； UniProt 1–229 链 H； UniProt 1–229 链 I； UniProt 1–229 链 J； UniProt 1–229	突变：YES	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5	X-RAY DIFFRACTION X-ray结晶条件：pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4	分辨率 2.70 Å R-free 0.244

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 4UM3	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
1I9B X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) 提交 2001-03-18	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 × 5 PDB 声明：pentameric	链 A 21–229（209 aa）链 B 21–229（209 aa）链 C 21–229（209 aa）链 D 21–229（209 aa）链 E 21–229（209 aa）	突变：L1F 突变：L1F 突变：L1F 突变：L1F 突变：L1F	CA CALCIUM ION × 8 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；PEG 4000, CALCIUM CHLORIDE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K	分辨率 2.70 Å R-free 0.297
1I9B X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) 提交 2001-03-18	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 2 蛋白同源多聚体同源多聚体；蛋白 × 10 PDB 声明：decameric	链 A 21–229（209 aa）链 B 21–229（209 aa）链 C 21–229（209 aa）链 D 21–229（209 aa）链 E 21–229（209 aa）	突变：L1F 突变：L1F 突变：L1F 突变：L1F 突变：L1F	CA CALCIUM ION × 16 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 10	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；PEG 4000, CALCIUM CHLORIDE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K	分辨率 2.70 Å R-free 0.297
1UV6 X-ray structure of acetylcholine binding protein (AChBP) in complex with carbamylcholine 提交 2004-01-15	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 A 20–229（210 aa）链 B 20–229（210 aa）链 C 20–229（210 aa）链 D 20–229（210 aa）链 E 20–229（210 aa）	未记录	CCE 2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 8；CAPS PH 10.5, AMMONIUM SULFATE	分辨率 2.50 Å R-free 0.265
1UV6 X-ray structure of acetylcholine binding protein (AChBP) in complex with carbamylcholine 提交 2004-01-15	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 F 20–229（210 aa）链 G 20–229（210 aa）链 H 20–229（210 aa）链 I 20–229（210 aa）链 J 20–229（210 aa）	未记录	CCE 2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8；CAPS PH 10.5, AMMONIUM SULFATE	分辨率 2.50 Å R-free 0.265
1UW6 X-ray structure of acetylcholine binding protein (AChBP) in complex with nicotine 提交 2004-01-30	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 × 5 PDB 声明：pentameric	链 A 19–229（211 aa）链 B 19–229（211 aa）链 C 19–229（211 aa）链 D 19–229（211 aa）链 E 19–229（211 aa）	未记录	NCT (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE × 5	X-RAY DIFFRACTION X-ray结晶条件 pH 8；TRIS PH 8.0, AMMONIUM SULFATE	分辨率 2.20 Å R-free 0.265
1UW6 X-ray structure of acetylcholine binding protein (AChBP) in complex with nicotine 提交 2004-01-30	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 × 5 PDB 声明：pentameric	链 F 19–229（211 aa）链 G 19–229（211 aa）链 H 19–229（211 aa）链 I 19–229（211 aa）链 J 19–229（211 aa）	未记录	NCT (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE × 5	X-RAY DIFFRACTION X-ray结晶条件 pH 8；TRIS PH 8.0, AMMONIUM SULFATE	分辨率 2.20 Å R-free 0.265
1UW6 X-ray structure of acetylcholine binding protein (AChBP) in complex with nicotine 提交 2004-01-30	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 K 19–229（211 aa）链 L 19–229（211 aa）链 M 19–229（211 aa）链 N 19–229（211 aa）链 O 19–229（211 aa）	未记录	NCT (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE × 5	X-RAY DIFFRACTION X-ray结晶条件 pH 8；TRIS PH 8.0, AMMONIUM SULFATE	分辨率 2.20 Å R-free 0.265
1UW6 X-ray structure of acetylcholine binding protein (AChBP) in complex with nicotine 提交 2004-01-30	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 P 19–229（211 aa）链 Q 19–229（211 aa）链 R 19–229（211 aa）链 S 19–229（211 aa）链 T 19–229（211 aa）	未记录	NCT (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE × 5	X-RAY DIFFRACTION X-ray结晶条件 pH 8；TRIS PH 8.0, AMMONIUM SULFATE	分辨率 2.20 Å R-free 0.265
1UX2 X-ray structure of acetylcholine binding protein (AChBP) 提交 2004-02-18	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 × 5 PDB 声明：pentameric	链 A 18–229（212 aa）链 B 18–229（212 aa）链 C 18–229（212 aa）链 D 18–229（212 aa）链 E 18–229（212 aa）	未记录	EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 SO4 SULFATE ION × 1 NH4 AMMONIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 8；TRIS PH 8.0, AMMONIUM SULFATE	分辨率 2.20 Å R-free 0.284
1UX2 X-ray structure of acetylcholine binding protein (AChBP) 提交 2004-02-18	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 × 5 PDB 声明：pentameric	链 F 18–229（212 aa）链 G 18–229（212 aa）链 H 18–229（212 aa）链 I 18–229（212 aa）链 J 18–229（212 aa）	未记录	EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 SO4 SULFATE ION × 1 NH4 AMMONIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 8；TRIS PH 8.0, AMMONIUM SULFATE	分辨率 2.20 Å R-free 0.284
1YI5 Crystal structure of the a-cobratoxin-AChBP complex 提交 2005-01-11	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 10 PDB 声明：decameric	链 A 20–229（210 aa）链 B 20–229（210 aa）链 C 20–229（210 aa）链 D 20–229（210 aa）链 E 20–229（210 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；0.9M NA-CITRATE, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 4.20 Å R-free 0.378
2ZJU Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein (Ls-AChBP) Complexed with Imidacloprid 提交 2008-03-10	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 × 5 PDB 声明：pentameric	链 A 16–229（214 aa）片段：UNP residues 16-229 链 B 16–229（214 aa）片段：UNP residues 16-229 链 C 16–229（214 aa）片段：UNP residues 16-229 链 D 16–229（214 aa）片段：UNP residues 16-229 链 E 16–229（214 aa）片段：UNP residues 16-229	突变：S0A, L1A, N66D 突变：S0A, L1A, N66D 突变：S0A, L1A, N66D 突变：S0A, L1A, N66D 突变：S0A, L1A, N66D	IM4 (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；0.2M Na citrate, pH5.7, 15-22% PEG3350, 0.5mM imidacloprid, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	分辨率 2.58 Å R-free 0.277
2ZJV Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein (Ls-AChBP) Complexed with Clothianidin 提交 2008-03-10	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 × 5 PDB 声明：pentameric	链 A 16–229（214 aa）片段：UNP residues 16-229 链 B 16–229（214 aa）片段：UNP residues 16-229 链 C 16–229（214 aa）片段：UNP residues 16-229 链 D 16–229（214 aa）片段：UNP residues 16-229 链 E 16–229（214 aa）片段：UNP residues 16-229	突变：S0A, L1A, N66D 突变：S0A, L1A, N66D 突变：S0A, L1A, N66D 突变：S0A, L1A, N66D 突变：S0A, L1A, N66D	CT4 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；0.2M Na citrate, pH5.7, 15-22% PEG3350, 0.5mM clothianidin, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.70 Å R-free 0.270
3U8J Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3531 (1-(pyridin-3-yl)-1,4-diazepane) 提交 2011-10-17	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 × 5 PDB 声明：pentameric	链 A 20–229（210 aa）链 B 20–229（210 aa）链 C 20–229（210 aa）链 D 20–229（210 aa）链 E 20–229（210 aa）	未记录	09O 1-(pyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 8；293 K；50mM Tris, 1.9M Ammonium sulfate, 1% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.35 Å R-free 0.258
3U8J Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3531 (1-(pyridin-3-yl)-1,4-diazepane) 提交 2011-10-17	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 × 5 PDB 声明：pentameric	链 F 20–229（210 aa）链 G 20–229（210 aa）链 H 20–229（210 aa）链 I 20–229（210 aa）链 J 20–229（210 aa）	未记录	09O 1-(pyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8；293 K；50mM Tris, 1.9M Ammonium sulfate, 1% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.35 Å R-free 0.258
3U8K Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3573 (1-(5-ethoxypyridin-3-yl)-1,4-diazepane) 提交 2011-10-17	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 × 5 PDB 声明：pentameric	链 A 20–229（210 aa）链 B 20–229（210 aa）链 C 20–229（210 aa）链 D 20–229（210 aa）链 E 20–229（210 aa）	未记录	09P 1-(5-ethoxypyridin-3-yl)-1,4-diazepane × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 8；293 K；50mM Tris, 2.0M Ammonium sulfate, 2% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.47 Å R-free 0.236
3U8K Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3573 (1-(5-ethoxypyridin-3-yl)-1,4-diazepane) 提交 2011-10-17	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 × 5 PDB 声明：pentameric	链 F 20–229（210 aa）链 G 20–229（210 aa）链 H 20–229（210 aa）链 I 20–229（210 aa）链 J 20–229（210 aa）	未记录	09P 1-(5-ethoxypyridin-3-yl)-1,4-diazepane × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 8；293 K；50mM Tris, 2.0M Ammonium sulfate, 2% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.47 Å R-free 0.236
3U8K Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3573 (1-(5-ethoxypyridin-3-yl)-1,4-diazepane) 提交 2011-10-17	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 3 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 K 20–229（210 aa）链 L 20–229（210 aa）链 M 20–229（210 aa）链 N 20–229（210 aa）链 O 20–229（210 aa）	未记录	09P 1-(5-ethoxypyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 8；293 K；50mM Tris, 2.0M Ammonium sulfate, 2% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.47 Å R-free 0.236
3U8K Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3573 (1-(5-ethoxypyridin-3-yl)-1,4-diazepane) 提交 2011-10-17	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 4 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 P 20–229（210 aa）链 Q 20–229（210 aa）链 R 20–229（210 aa）链 S 20–229（210 aa）链 T 20–229（210 aa）	未记录	09P 1-(5-ethoxypyridin-3-yl)-1,4-diazepane × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 8；293 K；50mM Tris, 2.0M Ammonium sulfate, 2% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.47 Å R-free 0.236
3U8L Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3570 (1-(5-phenylpyridin-3-yl)-1,4-diazepane) 提交 2011-10-17	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 × 5 PDB 声明：pentameric	链 A 20–229（210 aa）链 B 20–229（210 aa）链 C 20–229（210 aa）链 D 20–229（210 aa）链 E 20–229（210 aa）	未记录	09Q 1-(5-phenylpyridin-3-yl)-1,4-diazepane × 7 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；50mM Tris, 1.5M Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.32 Å R-free 0.244
3U8L Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3570 (1-(5-phenylpyridin-3-yl)-1,4-diazepane) 提交 2011-10-17	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 × 5 PDB 声明：pentameric	链 F 20–229（210 aa）链 G 20–229（210 aa）链 H 20–229（210 aa）链 I 20–229（210 aa）链 J 20–229（210 aa）	未记录	09Q 1-(5-phenylpyridin-3-yl)-1,4-diazepane × 7 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；50mM Tris, 1.5M Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.32 Å R-free 0.244
3U8M Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3920 (1-(6-bromopyridin-3-yl)-1,4-diazepane) 提交 2011-10-17	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 × 5 PDB 声明：pentameric	链 A 20–229（210 aa）链 B 20–229（210 aa）链 C 20–229（210 aa）链 D 20–229（210 aa）链 E 20–229（210 aa）	未记录	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 6	X-RAY DIFFRACTION X-ray结晶条件 pH 8；293 K；50mM Tris, 1.9M Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.70 Å R-free 0.275
3U8M Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3920 (1-(6-bromopyridin-3-yl)-1,4-diazepane) 提交 2011-10-17	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 × 5 PDB 声明：pentameric	链 F 20–229（210 aa）链 G 20–229（210 aa）链 H 20–229（210 aa）链 I 20–229（210 aa）链 J 20–229（210 aa）	未记录	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 5	X-RAY DIFFRACTION X-ray结晶条件 pH 8；293 K；50mM Tris, 1.9M Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.70 Å R-free 0.275
3U8M Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3920 (1-(6-bromopyridin-3-yl)-1,4-diazepane) 提交 2011-10-17	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 3 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 K 20–229（210 aa）链 L 20–229（210 aa）链 M 20–229（210 aa）链 N 20–229（210 aa）链 O 20–229（210 aa）	未记录	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 8；293 K；50mM Tris, 1.9M Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.70 Å R-free 0.275
3U8M Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3920 (1-(6-bromopyridin-3-yl)-1,4-diazepane) 提交 2011-10-17	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 4 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 P 20–229（210 aa）链 Q 20–229（210 aa）链 R 20–229（210 aa）链 S 20–229（210 aa）链 T 20–229（210 aa）	未记录	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 8；293 K；50mM Tris, 1.9M Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.70 Å R-free 0.275
3U8N Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3950 (1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane) 提交 2011-10-17	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 × 5 PDB 声明：pentameric	链 A 20–229（210 aa）链 B 20–229（210 aa）链 C 20–229（210 aa）链 D 20–229（210 aa）链 E 20–229（210 aa）	未记录	09S 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8；293 K；50mM Tris, 1.9 M Ammonium sulfate, 3% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.35 Å R-free 0.230
3U8N Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3950 (1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane) 提交 2011-10-17	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 × 5 PDB 声明：pentameric	链 F 20–229（210 aa）链 G 20–229（210 aa）链 H 20–229（210 aa）链 I 20–229（210 aa）链 J 20–229（210 aa）	未记录	09S 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8；293 K；50mM Tris, 1.9 M Ammonium sulfate, 3% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.35 Å R-free 0.230
3U8N Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3950 (1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane) 提交 2011-10-17	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 3 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 K 20–229（210 aa）链 L 20–229（210 aa）链 M 20–229（210 aa）链 N 20–229（210 aa）链 O 20–229（210 aa）	未记录	09S 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8；293 K；50mM Tris, 1.9 M Ammonium sulfate, 3% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.35 Å R-free 0.230
3U8N Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3950 (1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane) 提交 2011-10-17	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 4 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 P 20–229（210 aa）链 Q 20–229（210 aa）链 R 20–229（210 aa）链 S 20–229（210 aa）链 T 20–229（210 aa）	未记录	09S 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8；293 K；50mM Tris, 1.9 M Ammonium sulfate, 3% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.35 Å R-free 0.230
3WIP Crystal structure of acetylcholine bound to Ls-AChBP 提交 2013-09-24	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 × 5 PDB 声明：pentameric	链 A 1–229（229 aa）链 B 1–229（229 aa）链 C 1–229（229 aa）链 D 1–229（229 aa）链 E 1–229（229 aa）	未记录	ACH ACETYLCHOLINE × 5 1PE PENTAETHYLENE GLYCOL × 8 SO4 SULFATE ION × 4 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1M TRIS, 1.025M (NH4)2SO4, 0.1M NaCl, 1.5% PEG 400, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.60 Å R-free 0.239
3WIP Crystal structure of acetylcholine bound to Ls-AChBP 提交 2013-09-24	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 × 5 PDB 声明：pentameric	链 F 1–229（229 aa）链 G 1–229（229 aa）链 H 1–229（229 aa）链 I 1–229（229 aa）链 J 1–229（229 aa）	未记录	ACH ACETYLCHOLINE × 5 1PE PENTAETHYLENE GLYCOL × 4 SO4 SULFATE ION × 3 ACT ACETATE ION × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1M TRIS, 1.025M (NH4)2SO4, 0.1M NaCl, 1.5% PEG 400, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	分辨率 2.60 Å R-free 0.239
3WTH Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Imidacloprid 提交 2014-04-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 A 21–229（209 aa）片段：UNP residues 21-229 链 B 21–229（209 aa）片段：UNP residues 21-229 链 C 21–229（209 aa）片段：UNP residues 21-229 链 D 21–229（209 aa）片段：UNP residues 21-229 链 E 21–229（209 aa）片段：UNP residues 21-229	突变：Q55R 突变：Q55R 突变：Q55R 突变：Q55R 突变：Q55R	IM4 (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.7；293 K；0.2M Na citrate pH 5.7, 15-22% PEG3350, 0.5mM imidacloprid, VAPOR DIFFUSION, temperature 293K	分辨率 2.54 Å R-free 0.271
3WTI Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Clothianidin 提交 2014-04-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 A 21–229（209 aa）片段：UNP residues 21-229 链 B 21–229（209 aa）片段：UNP residues 21-229 链 C 21–229（209 aa）片段：UNP residues 21-229 链 D 21–229（209 aa）片段：UNP residues 21-229 链 E 21–229（209 aa）片段：UNP residues 21-229	突变：Q55R 突变：Q55R 突变：Q55R 突变：Q55R 突变：Q55R	CT4 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.7；293 K；0.2M Na citrate pH 5.7, 15-22% PEG3350, 0.5mM clothianidin, VAPOR DIFFUSION, temperature 293K	分辨率 2.68 Å R-free 0.294
3WTJ Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Thiacloprid 提交 2014-04-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 A 21–229（209 aa）链 B 21–229（209 aa）链 C 21–229（209 aa）链 D 21–229（209 aa）链 E 21–229（209 aa）	未记录	TH4 {(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.7；293 K；0.2M Na citrate pH 5.7, 15-22% PEG3350, 0.5mM thiacloprid, VAPOR DIFFUSION, temperature 293K	分辨率 2.24 Å R-free 0.266
3WTK Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Thiacloprid 提交 2014-04-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 A 21–229（209 aa）片段：UNP residues 21-229 链 B 21–229（209 aa）片段：UNP residues 21-229 链 C 21–229（209 aa）片段：UNP residues 21-229 链 D 21–229（209 aa）片段：UNP residues 21-229 链 E 21–229（209 aa）片段：UNP residues 21-229	突变：Q55R 突变：Q55R 突变：Q55R 突变：Q55R 突变：Q55R	TH4 {(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.7；293 K；0.2M Na citrate pH 5.7, 15-22% PEG3350, 0.5mM thiacloprid, VAPOR DIFFUSION, temperature 293K	分辨率 2.69 Å R-free 0.274
3WTL Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Nitromethylene Analogue of Imidacloprid 提交 2014-04-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 A 21–229（209 aa）片段：UNP residues 21-229 链 B 21–229（209 aa）片段：UNP residues 21-229 链 C 21–229（209 aa）片段：UNP residues 21-229 链 D 21–229（209 aa）片段：UNP residues 21-229 链 E 21–229（209 aa）片段：UNP residues 21-229	未记录	N1Y 2-chloro-5-{[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.7；293 K；0.2M Na citrate pH 5.7, 15-22% PEG3350, 0.5mM Nitromethylene Analogue of Imidacloprid, VAPOR DIFFUSION, temperature 293K	分辨率 2.30 Å R-free 0.265
3WTM Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Nitromethylene Analogue of Imidacloprid 提交 2014-04-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 A 21–229（209 aa）片段：UNP residues 21-229 链 B 21–229（209 aa）片段：UNP residues 21-229 链 C 21–229（209 aa）片段：UNP residues 21-229 链 D 21–229（209 aa）片段：UNP residues 21-229 链 E 21–229（209 aa）片段：UNP residues 21-229	突变：Q55R 突变：Q55R 突变：Q55R 突变：Q55R 突变：Q55R	N1Y 2-chloro-5-{[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine × 5	X-RAY DIFFRACTION X-ray结晶条件 pH 5.7；293 K；0.2M Na citrate pH 5.7, 15-22% PEG3350, 0.5mM Nitromethylene Analogue of Imidacloprid, VAPOR DIFFUSION, temperature 293K	分辨率 2.48 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid 提交 2014-04-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 A 21–229（209 aa）片段：UNP residues 21-229 链 B 21–229（209 aa）片段：UNP residues 21-229 链 C 21–229（209 aa）片段：UNP residues 21-229 链 D 21–229（209 aa）片段：UNP residues 21-229 链 E 21–229（209 aa）片段：UNP residues 21-229	未记录	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 5 CD CADMIUM ION × 35 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	分辨率 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid 提交 2014-04-11	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 10 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 H 21–229（209 aa）片段：UNP residues 21-229	未记录	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	分辨率 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid 提交 2014-04-11	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 11 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 I 21–229（209 aa）片段：UNP residues 21-229	未记录	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	分辨率 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid 提交 2014-04-11	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 12 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 J 21–229（209 aa）片段：UNP residues 21-229	未记录	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	分辨率 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid 提交 2014-04-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 F 21–229（209 aa）片段：UNP residues 21-229 链 G 21–229（209 aa）片段：UNP residues 21-229 链 H 21–229（209 aa）片段：UNP residues 21-229 链 I 21–229（209 aa）片段：UNP residues 21-229 链 J 21–229（209 aa）片段：UNP residues 21-229	未记录	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 5 CD CADMIUM ION × 19	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	分辨率 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid 提交 2014-04-11	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 21–229（209 aa）片段：UNP residues 21-229	未记录	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 8	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	分辨率 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid 提交 2014-04-11	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 21–229（209 aa）片段：UNP residues 21-229	未记录	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 7 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	分辨率 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid 提交 2014-04-11	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 5 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 21–229（209 aa）片段：UNP residues 21-229	未记录	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 7 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	分辨率 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid 提交 2014-04-11	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 6 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 21–229（209 aa）片段：UNP residues 21-229	未记录	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 7	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	分辨率 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid 提交 2014-04-11	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 7 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 E 21–229（209 aa）片段：UNP residues 21-229	未记录	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	分辨率 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid 提交 2014-04-11	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 8 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 F 21–229（209 aa）片段：UNP residues 21-229	未记录	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	分辨率 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid 提交 2014-04-11	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 9 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 G 21–229（209 aa）片段：UNP residues 21-229	未记录	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	分辨率 2.09 Å R-free 0.262
3WTO Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Desnitro-imidacloprid 提交 2014-04-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 A 21–229（209 aa）片段：UNP residues 21-229 链 B 21–229（209 aa）片段：UNP residues 21-229 链 C 21–229（209 aa）片段：UNP residues 21-229 链 D 21–229（209 aa）片段：UNP residues 21-229 链 E 21–229（209 aa）片段：UNP residues 21-229	突变：Q55R 突变：Q55R 突变：Q55R 突变：Q55R 突变：Q55R	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 8.5；293 K；24-27 % PEG4000, 0.1-0.3M LiSO4, 0.1M Tris-HCl, pH 8.5, 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	分辨率 2.25 Å R-free 0.262
3ZDG Crystal Structure of Ls-AChBP complexed with carbamoylcholine analogue 3-(dimethylamino)butyl dimethylcarbamate (DMABC) 提交 2012-11-26	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 K 20–229（210 aa）链 L 20–229（210 aa）链 M 20–229（210 aa）链 N 20–229（210 aa）链 O 20–229（210 aa）	未记录	XRX 3-(dimethylamino)butyl dimethylcarbamate × 5 SO4 SULFATE ION × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；0.1 M TRIS (AT PH 8.5 ), 2.0 M AMMONIUM SULPHATE	分辨率 2.48 Å R-free 0.221
3ZDG Crystal Structure of Ls-AChBP complexed with carbamoylcholine analogue 3-(dimethylamino)butyl dimethylcarbamate (DMABC) 提交 2012-11-26	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 A 20–229（210 aa）链 B 20–229（210 aa）链 C 20–229（210 aa）链 D 20–229（210 aa）链 E 20–229（210 aa）	未记录	XRX 3-(dimethylamino)butyl dimethylcarbamate × 5 SO4 SULFATE ION × 6	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；0.1 M TRIS (AT PH 8.5 ), 2.0 M AMMONIUM SULPHATE	分辨率 2.48 Å R-free 0.221
3ZDG Crystal Structure of Ls-AChBP complexed with carbamoylcholine analogue 3-(dimethylamino)butyl dimethylcarbamate (DMABC) 提交 2012-11-26	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 F 20–229（210 aa）链 G 20–229（210 aa）链 H 20–229（210 aa）链 I 20–229（210 aa）链 J 20–229（210 aa）	未记录	XRX 3-(dimethylamino)butyl dimethylcarbamate × 5 SO4 SULFATE ION × 5	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；0.1 M TRIS (AT PH 8.5 ), 2.0 M AMMONIUM SULPHATE	分辨率 2.48 Å R-free 0.221
3ZDG Crystal Structure of Ls-AChBP complexed with carbamoylcholine analogue 3-(dimethylamino)butyl dimethylcarbamate (DMABC) 提交 2012-11-26	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 P 20–229（210 aa）链 Q 20–229（210 aa）链 R 20–229（210 aa）链 S 20–229（210 aa）链 T 20–229（210 aa）	未记录	XRX 3-(dimethylamino)butyl dimethylcarbamate × 5 SO4 SULFATE ION × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 1PE PENTAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；0.1 M TRIS (AT PH 8.5 ), 2.0 M AMMONIUM SULPHATE	分辨率 2.48 Å R-free 0.221
3ZDH Crystal structure of Ls-AChBP complexed with carbamoylcholine analogue N,N-dimethyl-4-(1-methyl-1H-imidazol-2-yloxy)butan-2-amine 提交 2012-11-26	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 A 20–229（210 aa）链 B 20–229（210 aa）链 C 20–229（210 aa）链 D 20–229（210 aa）链 E 20–229（210 aa）	未记录	XRS (2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxy-butan-2-amine × 5 SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；0.1 M TRIS (PH 8.5), 2.0 M AMMONIUM SULPHATE, 2 % PEG 400	分辨率 2.19 Å R-free 0.245
3ZDH Crystal structure of Ls-AChBP complexed with carbamoylcholine analogue N,N-dimethyl-4-(1-methyl-1H-imidazol-2-yloxy)butan-2-amine 提交 2012-11-26	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 F 20–229（210 aa）链 G 20–229（210 aa）链 H 20–229（210 aa）链 I 20–229（210 aa）链 J 20–229（210 aa）	未记录	XRS (2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxy-butan-2-amine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；0.1 M TRIS (PH 8.5), 2.0 M AMMONIUM SULPHATE, 2 % PEG 400	分辨率 2.19 Å R-free 0.245
4ALX Crystal Structure of Ls-AChBP complexed with the potent nAChR antagonist DHbE 提交 2012-03-06	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 × 5 PDB 声明：pentameric	链 F 1–229（229 aa）链 G 1–229（229 aa）链 H 1–229（229 aa）链 I 1–229（229 aa）链 J 1–229（229 aa）	未记录	IZN (4bS,6S)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one × 5 1PE PENTAETHYLENE GLYCOL × 4 MG MAGNESIUM ION × 3	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；0.1 M HEPES PH 7.5, 25% V/V PEG 400, AND 0.2 M MGCL2.	分辨率 2.30 Å R-free 0.250
4ALX Crystal Structure of Ls-AChBP complexed with the potent nAChR antagonist DHbE 提交 2012-03-06	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 × 5 PDB 声明：pentameric	链 A 1–229（229 aa）链 B 1–229（229 aa）链 C 1–229（229 aa）链 D 1–229（229 aa）链 E 1–229（229 aa）	未记录	IZN (4bS,6S)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one × 5 1PE PENTAETHYLENE GLYCOL × 2 MG MAGNESIUM ION × 3	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；0.1 M HEPES PH 7.5, 25% V/V PEG 400, AND 0.2 M MGCL2.	分辨率 2.30 Å R-free 0.250
4NZB NS9283 bound to Ls-AChBP 提交 2013-12-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 F 20–229（210 aa）链 G 20–229（210 aa）链 H 20–229（210 aa）链 I 20–229（210 aa）链 J 20–229（210 aa）	未记录	1PE PENTAETHYLENE GLYCOL × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 7 ACT ACETATE ION × 8 NSE 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1mM Tris, 0.95M (NH3)2SO4, 4% PEG 400, 0.1M NaCl, 2.5% DMSO, pH 8.0, vapor diffusion, sitting drop, temperature 293K	分辨率 2.68 Å R-free 0.240
4NZB NS9283 bound to Ls-AChBP 提交 2013-12-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 A 20–229（210 aa）链 B 20–229（210 aa）链 C 20–229（210 aa）链 D 20–229（210 aa）链 E 20–229（210 aa）	未记录	1PE PENTAETHYLENE GLYCOL × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 12 ACT ACETATE ION × 3 NSE 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile × 3 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1mM Tris, 0.95M (NH3)2SO4, 4% PEG 400, 0.1M NaCl, 2.5% DMSO, pH 8.0, vapor diffusion, sitting drop, temperature 293K	分辨率 2.68 Å R-free 0.240
4NZB NS9283 bound to Ls-AChBP 提交 2013-12-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 K 20–229（210 aa）链 L 20–229（210 aa）链 M 20–229（210 aa）链 N 20–229（210 aa）链 O 20–229（210 aa）	未记录	SO4 SULFATE ION × 1 ACT ACETATE ION × 1 NSE 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile × 2 CL CHLORIDE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1mM Tris, 0.95M (NH3)2SO4, 4% PEG 400, 0.1M NaCl, 2.5% DMSO, pH 8.0, vapor diffusion, sitting drop, temperature 293K	分辨率 2.68 Å R-free 0.240
4QAA X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 6-(4-Methoxyphenyl)-N4-octylpyrimidine-2,4-diamine 提交 2014-05-03	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 × 5 PDB 声明：pentameric	链 A 20–228（209 aa）链 B 20–228（209 aa）链 C 20–228（209 aa）链 D 20–228（209 aa）链 E 20–228（209 aa）	未记录	KK1 6-(4-methoxyphenyl)-N~4~-octylpyrimidine-2,4-diamine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 PO4 PHOSPHATE ION × 12	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 290K	分辨率 2.70 Å R-free 0.262
4QAA X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 6-(4-Methoxyphenyl)-N4-octylpyrimidine-2,4-diamine 提交 2014-05-03	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 × 5 PDB 声明：pentameric	链 F 20–228（209 aa）链 G 20–228（209 aa）链 H 20–228（209 aa）链 I 20–228（209 aa）链 J 20–228（209 aa）	未记录	KK1 6-(4-methoxyphenyl)-N~4~-octylpyrimidine-2,4-diamine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 PO4 PHOSPHATE ION × 7	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 290K	分辨率 2.70 Å R-free 0.262
4QAB X-RAY STRUCTURE of ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(MORPHOLIN-4-YL)-6-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE 提交 2014-05-03	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 × 5 PDB 声明：pentameric	链 A 20–228（209 aa）链 B 20–228（209 aa）链 C 20–228（209 aa）链 D 20–228（209 aa）链 E 20–228（209 aa）	未记录	KK2 4-(morpholin-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 PO4 PHOSPHATE ION × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 290K	分辨率 2.98 Å R-free 0.233
4QAB X-RAY STRUCTURE of ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(MORPHOLIN-4-YL)-6-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE 提交 2014-05-03	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 × 5 PDB 声明：pentameric	链 F 20–228（209 aa）链 G 20–228（209 aa）链 H 20–228（209 aa）链 I 20–228（209 aa）链 J 20–228（209 aa）	未记录	KK2 4-(morpholin-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 PO4 PHOSPHATE ION × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 290K	分辨率 2.98 Å R-free 0.233
4QAC X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(4-methylpiperidin-1-yl)-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-amine 提交 2014-05-03	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 × 5 PDB 声明：pentameric	链 A 20–228（209 aa）链 B 20–228（209 aa）链 C 20–228（209 aa）链 D 20–228（209 aa）链 E 20–228（209 aa）	未记录	PO4 PHOSPHATE ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 KK3 4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 290K	分辨率 2.10 Å R-free 0.247
4QAC X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(4-methylpiperidin-1-yl)-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-amine 提交 2014-05-03	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 × 5 PDB 声明：pentameric	链 F 20–228（209 aa）链 G 20–228（209 aa）链 H 20–228（209 aa）链 I 20–228（209 aa）链 J 20–228（209 aa）	未记录	PO4 PHOSPHATE ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 KK3 4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 290K	分辨率 2.10 Å R-free 0.247
4UM1 Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3573 提交 2014-05-14	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 × 5 PDB 声明：pentameric	链 A 1–229（229 aa）链 B 1–229（229 aa）链 C 1–229（229 aa）链 D 1–229（229 aa）链 E 1–229（229 aa）	突变：YES 突变：YES 突变：YES 突变：YES 突变：YES	09P 1-(5-ethoxypyridin-3-yl)-1,4-diazepane × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4	分辨率 2.83 Å R-free 0.231
4ZJT X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (LsAChBP) in complex with 2-Thiophenylmethylene Anabaseine (2TAB) 提交 2015-04-29	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 A 20–229（210 aa）片段：UNP residues 20-229 链 B 20–229（210 aa）片段：UNP residues 20-229 链 C 20–229（210 aa）片段：UNP residues 20-229 链 D 20–229（210 aa）片段：UNP residues 20-229 链 E 20–229（210 aa）片段：UNP residues 20-229	未记录	PO4 PHOSPHATE ION × 5 4P6 (3E)-3-(thiophen-2-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol	分辨率 1.85 Å R-free 0.225
4ZJT X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (LsAChBP) in complex with 2-Thiophenylmethylene Anabaseine (2TAB) 提交 2015-04-29	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 F 20–229（210 aa）片段：UNP residues 20-229 链 G 20–229（210 aa）片段：UNP residues 20-229 链 H 20–229（210 aa）片段：UNP residues 20-229 链 I 20–229（210 aa）片段：UNP residues 20-229 链 J 20–229（210 aa）片段：UNP residues 20-229	未记录	PO4 PHOSPHATE ION × 5 4P6 (3E)-3-(thiophen-2-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol	分辨率 1.85 Å R-free 0.225
4ZK1 Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein (LsAChBP) in Complex with 3-Pyrrolylmethylene Anabaseine 提交 2015-04-29	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 A 20–229（210 aa）片段：UNP residues 20-229 链 B 20–229（210 aa）片段：UNP residues 20-229 链 C 20–229（210 aa）片段：UNP residues 20-229 链 D 20–229（210 aa）片段：UNP residues 20-229 链 E 20–229（210 aa）片段：UNP residues 20-229	未记录	PO4 PHOSPHATE ION × 5 4P7 (3E)-3-(1H-pyrrol-3-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol	分辨率 1.75 Å R-free 0.216
4ZK1 Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein (LsAChBP) in Complex with 3-Pyrrolylmethylene Anabaseine 提交 2015-04-29	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 F 20–229（210 aa）片段：UNP residues 20-229 链 G 20–229（210 aa）片段：UNP residues 20-229 链 H 20–229（210 aa）片段：UNP residues 20-229 链 I 20–229（210 aa）片段：UNP residues 20-229 链 J 20–229（210 aa）片段：UNP residues 20-229	未记录	PO4 PHOSPHATE ION × 5 4P7 (3E)-3-(1H-pyrrol-3-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol	分辨率 1.75 Å R-free 0.216
4ZR6 Lymnaea Stagnalis Acetylcholine Binding Protein in Complex with 3-[(4E)-4-[(3-methylimidazol-4-yl)methylene]-2,3-dihydropyrrol-5-yl]pyridine 提交 2015-05-11	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 A 20–229（210 aa）片段：UNP residues 20-229 链 B 20–229（210 aa）片段：UNP residues 20-229 链 C 20–229（210 aa）片段：UNP residues 20-229 链 D 20–229（210 aa）片段：UNP residues 20-229 链 E 20–229（210 aa）片段：UNP residues 20-229	未记录	4QW 3-{(4E)-4-[(1-methyl-1H-imidazol-5-yl)methylidene]-3,4-dihydro-2H-pyrrol-5-yl}pyridine × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 4.6；291.15 K；0.02 M calcium chloride dihydrate, 0.1 M sodium acetate trihydrate, pH 4.6, 30% v/v MPD	分辨率 2.60 Å R-free 0.266
4ZRU X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (Ls-AChBP) in complex with 3-[2-[(2S)-pyrrolidin-2-yl]ethynyl]pyridine (TI-5180) 提交 2015-05-12	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 A 20–229（210 aa）片段：UNP residues 20-229 链 B 20–229（210 aa）片段：UNP residues 20-229 链 C 20–229（210 aa）片段：UNP residues 20-229 链 D 20–229（210 aa）片段：UNP residues 20-229 链 E 20–229（210 aa）片段：UNP residues 20-229	未记录	PO4 PHOSPHATE ION × 5 TI9 3-[(2S)-pyrrolidin-2-ylethynyl]pyridine × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol	分辨率 1.90 Å R-free 0.204
4ZRU X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (Ls-AChBP) in complex with 3-[2-[(2S)-pyrrolidin-2-yl]ethynyl]pyridine (TI-5180) 提交 2015-05-12	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 F 20–229（210 aa）片段：UNP residues 20-229 链 G 20–229（210 aa）片段：UNP residues 20-229 链 H 20–229（210 aa）片段：UNP residues 20-229 链 I 20–229（210 aa）片段：UNP residues 20-229 链 J 20–229（210 aa）片段：UNP residues 20-229	未记录	PO4 PHOSPHATE ION × 5 TI9 3-[(2S)-pyrrolidin-2-ylethynyl]pyridine × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol	分辨率 1.90 Å R-free 0.204
5BP0 X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (Ls-AChBP) in complex with 5-Fluoronicotine (TI-4650) 提交 2015-05-27	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 × 5 PDB 声明：pentameric	链 A 20–229（210 aa）链 B 20–229（210 aa）链 C 20–229（210 aa）链 D 20–229（210 aa）链 E 20–229（210 aa）	未记录	PO4 PHOSPHATE ION × 5 FN1 5-fluoronicotine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol	分辨率 2.40 Å R-free 0.248
5BP0 X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (Ls-AChBP) in complex with 5-Fluoronicotine (TI-4650) 提交 2015-05-27	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 × 5 PDB 声明：pentameric	链 F 20–229（210 aa）链 G 20–229（210 aa）链 H 20–229（210 aa）链 I 20–229（210 aa）链 J 20–229（210 aa）	未记录	PO4 PHOSPHATE ION × 5 FN1 5-fluoronicotine × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol	分辨率 2.40 Å R-free 0.248
5J5F X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with N4,N4-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine 提交 2016-04-02	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 A 20–229（210 aa）链 B 20–229（210 aa）链 C 20–229（210 aa）链 D 20–229（210 aa）链 E 20–229（210 aa）	未记录	PO4 PHOSPHATE ION × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 6GH N~4~,N~4~-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol	分辨率 2.04 Å R-free 0.202
5J5F X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with N4,N4-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine 提交 2016-04-02	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 F 20–229（210 aa）链 G 20–229（210 aa）链 H 20–229（210 aa）链 I 20–229（210 aa）链 J 20–229（210 aa）	未记录	PO4 PHOSPHATE ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 6GH N~4~,N~4~-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine × 5 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol	分辨率 2.04 Å R-free 0.202
5J5G X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 6-(4-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine 提交 2016-04-02	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 A 20–229（210 aa）链 B 20–229（210 aa）链 C 20–229（210 aa）链 D 20–229（210 aa）链 E 20–229（210 aa）	未记录	PO4 PHOSPHATE ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 6GF 6-(4-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol	分辨率 2.04 Å R-free 0.209
5J5G X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 6-(4-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine 提交 2016-04-02	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 F 20–229（210 aa）链 G 20–229（210 aa）链 H 20–229（210 aa）链 I 20–229（210 aa）链 J 20–229（210 aa）	未记录	PO4 PHOSPHATE ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 6GF 6-(4-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol	分辨率 2.04 Å R-free 0.209
5J5H X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 6-(2-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine 提交 2016-04-02	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 A 20–229（210 aa）链 B 20–229（210 aa）链 C 20–229（210 aa）链 D 20–229（210 aa）链 E 20–229（210 aa）	未记录	6GK 6-(2-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 PO4 PHOSPHATE ION × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol	分辨率 2.70 Å R-free 0.297
5J5H X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 6-(2-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine 提交 2016-04-02	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 F 20–229（210 aa）链 G 20–229（210 aa）链 H 20–229（210 aa）链 I 20–229（210 aa）链 J 20–229（210 aa）	未记录	6GK 6-(2-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 PO4 PHOSPHATE ION × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol	分辨率 2.70 Å R-free 0.297
5J5I X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol 提交 2016-04-02	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 A 20–229（210 aa）链 B 20–229（210 aa）链 C 20–229（210 aa）链 D 20–229（210 aa）链 E 20–229（210 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 6GM 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol × 5 PO4 PHOSPHATE ION × 10	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol	分辨率 2.33 Å R-free 0.250
5J5I X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol 提交 2016-04-02	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 F 20–229（210 aa）链 G 20–229（210 aa）链 H 20–229（210 aa）链 I 20–229（210 aa）链 J 20–229（210 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 6GM 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol × 5 PO4 PHOSPHATE ION × 11	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol	分辨率 2.33 Å R-free 0.250
5T90 Structural mechanisms for alpha-conotoxin selectivity at the human alpha3beta4 nicotinic acetylcholine receptor 提交 2016-09-08	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 10 PDB 声明：decameric	链 A 20–229（210 aa）链 B 20–229（210 aa）链 C 20–229（210 aa）链 D 20–229（210 aa）链 E 20–229（210 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 4.3；293 K；0.871 M ammonium sulphate, 7.55% PEG 3350, 2-propanol 7.45% and ammonium acetate 0.1 M pH 4.3	分辨率 2.80 Å R-free 0.245
5Y2Q X-ray structure of acetylcholine binding protein (AChBP) complexed with a small molecule 提交 2017-07-26	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 A 21–229（209 aa）片段：UNP residues 21-229 链 B 21–229（209 aa）片段：UNP residues 21-229 链 C 21–229（209 aa）片段：UNP residues 21-229 链 D 21–229（209 aa）片段：UNP residues 21-229 链 E 21–229（209 aa）片段：UNP residues 21-229	未记录	8L3 3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；289 K；TRIS PH 8.0, AMMONIUM SULFATE	分辨率 2.36 Å R-free 0.277
7DJI Crystal structure of Lymnaea stagnalis Acetylcholine binding protein (AChBP) complexed with Paraherquamide A 提交 2020-11-20	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 × 5 PDB 声明：pentameric	链 A 21–229（209 aa）链 B 21–229（209 aa）链 C 21–229（209 aa）链 D 21–229（209 aa）链 E 21–229（209 aa）	未记录	H8U Paraherquamide A × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；14.1-15.6% PEG 4000, Sodium Citrate buffer pH 5.0	分辨率 2.20 Å R-free 0.231
7N0W Rigidity of loop 1 contributes to equipotency of globular and ribbon isomers of alpha-conotoxin AusIA 提交 2021-05-26	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 6 PDB 声明：hexameric	链 A 20–224（205 aa）链 B 20–224（205 aa）链 C 20–224（205 aa）链 D 20–224（205 aa）链 E 20–224（205 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；296.15 K；0.1 M calcium acetate hydrate, 12% PEG400, 0.1M MES pH 6.0	分辨率 2.46 Å R-free 0.240
7N0Y Rigidity of loop 1 contributes to equipotency of globular and ribbon isomers of alpha-conotoxin AusIA 提交 2021-05-26	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 6 PDB 声明：hexameric	链 A 20–224（205 aa）链 B 20–224（205 aa）链 C 20–224（205 aa）链 D 20–224（205 aa）链 E 20–224（205 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；296.15 K；0.1 M calcium acetate hydrate, 18% PEG400, 0.1M MES pH 6.0	分辨率 2.58 Å R-free 0.253
7N43 Alpha-conotoxin OmIA with unusual pharmacological properties at alpha7 nicotinic receptors 提交 2021-06-03	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 10 PDB 声明：decameric	链 A 20–229（210 aa）链 B 20–229（210 aa）链 C 20–229（210 aa）链 D 20–229（210 aa）链 E 20–229（210 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；293 K；0.2 M ammonium sulfate, 5% PEG4000 and 0.1M sodium acetate trihydrate pH 4.6	分辨率 2.47 Å R-free 0.212
7NDP X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001856. 提交 2021-02-02	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 其他组合同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 A 1–229（229 aa）链 B 1–229（229 aa）链 C 1–229（229 aa）链 D 1–229（229 aa）链 E 1–229（229 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GOL GLYCEROL × 5 U8T 6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	分辨率 2.00 Å R-free 0.243
7NDP X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001856. 提交 2021-02-02	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 × 5 PDB 声明：pentameric	链 F 1–229（229 aa）链 G 1–229（229 aa）链 H 1–229（229 aa）链 I 1–229（229 aa）链 J 1–229（229 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 U8T 6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one × 4 SO4 SULFATE ION × 1 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	分辨率 2.00 Å R-free 0.243
7NDV X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001888. 提交 2021-02-02	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 × 5 PDB 声明：pentameric	链 A 1–229（229 aa）链 B 1–229（229 aa）链 C 1–229（229 aa）链 D 1–229（229 aa）链 E 1–229（229 aa）	未记录	U8Q 4-[4-(trifluoromethyl)phenoxy]piperidine × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	分辨率 1.70 Å R-free 0.233
7NDV X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001888. 提交 2021-02-02	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 × 5 PDB 声明：pentameric	链 F 1–229（229 aa）链 G 1–229（229 aa）链 H 1–229（229 aa）链 I 1–229（229 aa）链 J 1–229（229 aa）	未记录	U8Q 4-[4-(trifluoromethyl)phenoxy]piperidine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	分辨率 1.70 Å R-free 0.233
7PD6 Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Sulfoxaflor 提交 2021-08-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 AaA 21–229（209 aa）链 BaB 21–229（209 aa）链 CaC 21–229（209 aa）链 DaD 21–229（209 aa）链 EaE 21–229（209 aa）	突变：Q55R, D66N, M114V 突变：Q55R, D66N, M114V 突变：Q55R, D66N, M114V 突变：Q55R, D66N, M114V 突变：Q55R, D66N, M114V	7II Sulfoxaflor × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；14-18% PEG3350, 0.1-0.25M diammonium hydrogen citrate, 15% glycerol	分辨率 2.00 Å R-free 0.231
7PD6 Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Sulfoxaflor 提交 2021-08-04	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 FaF 21–229（209 aa）链 GaG 21–229（209 aa）链 HaH 21–229（209 aa）链 IaI 21–229（209 aa）链 JJJ 21–229（209 aa）	突变：Q55R, D66N, M114V 突变：Q55R, D66N, M114V 突变：Q55R, D66N, M114V 突变：Q55R, D66N, M114V 突变：Q55R, D66N, M114V	7II Sulfoxaflor × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；14-18% PEG3350, 0.1-0.25M diammonium hydrogen citrate, 15% glycerol	分辨率 2.00 Å R-free 0.231
7PDB Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Flupyradifurone 提交 2021-08-05	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 AaA 21–229（209 aa）链 BaB 21–229（209 aa）链 CaC 21–229（209 aa）链 DaD 21–229（209 aa）链 EaE 21–229（209 aa）	突变：Q55R, N66D, M114V 突变：Q55R, N66D, M114V 突变：Q55R, N66D, M114V 突变：Q55R, N66D, M114V 突变：Q55R, N66D, M114V	7IE Flupyradifurone × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；14-18% PEG3350, 0.1-0.25M diammonium hydrogen citrate, 15% glycerol	分辨率 2.33 Å R-free 0.256
7PDR Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Dichloromezotiaz 提交 2021-08-06	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 × 5 PDB 声明：pentameric	链 AaA 21–229（209 aa）链 BaB 21–229（209 aa）链 CaC 21–229（209 aa）链 DaD 21–229（209 aa）链 EaE 21–229（209 aa）	突变：Q55R, N66D, M114V 突变：Q55R, N66D, M114V 突变：Q55R, N66D, M114V 突变：Q55R, N66D, M114V 突变：Q55R, N66D, M114V	7JI 3-[3,5-bis(chloranyl)phenyl]-1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-9-methyl-pyrido[1,2-a]pyrimidine-2,4-dione × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；14-18% PEG3350, 0.1-0.25M diammonium hydrogen citrate, 15% glycerol	分辨率 2.33 Å R-free 0.245
7PE5 Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Triflumezopyrim 提交 2021-08-09	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 AaA 21–229（209 aa）链 BaB 21–229（209 aa）链 CaC 21–229（209 aa）链 DaD 21–229（209 aa）链 EaE 21–229（209 aa）	突变：Q55R, N66D, M114V 突变：Q55R, N66D, M114V 突变：Q55R, N66D, M114V 突变：Q55R, N66D, M114V 突变：Q55R, N66D, M114V	7OB 4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；14-18% PEG3350, 0.1-0.25M diammonium hydrogen citrate, 15% glycerol	分辨率 2.10 Å R-free 0.229
7PE6 Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Flupyrimin 提交 2021-08-09	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 AaA 21–229（209 aa）链 BaB 21–229（209 aa）链 CaC 21–229（209 aa）链 DaD 21–229（209 aa）链 EaE 21–229（209 aa）	突变：Q55R, N66D, M114V 突变：Q55R, N66D, M114V 突变：Q55R, N66D, M114V 突变：Q55R, N66D, M114V 突变：Q55R, N66D, M114V	7OF (~{N}~{E})-~{N}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；14-18% PEG3350, 0.1-0.25M diammonium hydrogen citrate, 15% glycerol	分辨率 2.01 Å R-free 0.227
7TXF The allosteric binding mode of alphaD-conotoxin VxXXB 提交 2022-02-09	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 8 PDB 声明：octameric	链 A 20–224（205 aa）链 B 20–224（205 aa）链 C 20–224（205 aa）链 D 20–224（205 aa）链 E 20–224（205 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；296.15 K；0.91 M lithium chloride, 16% PEG6000 and 0.1 M MES monohydrate pH 6.4	分辨率 2.47 Å R-free 0.246
8P11 X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL003044. 提交 2023-05-11	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 × 5 PDB 声明：pentameric	链 A 1–229（229 aa）链 B 1–229（229 aa）链 C 1–229（229 aa）链 D 1–229（229 aa）链 E 1–229（229 aa）	未记录	CL CHLORIDE ION × 5 WD5 4-(4-chlorophenyl)piperidin-4-ol × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	分辨率 1.90 Å R-free 0.244
8P11 X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL003044. 提交 2023-05-11	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 × 5 PDB 声明：pentameric	链 F 1–229（229 aa）链 G 1–229（229 aa）链 H 1–229（229 aa）链 I 1–229（229 aa）链 J 1–229（229 aa）	未记录	CL CHLORIDE ION × 5 WD5 4-(4-chlorophenyl)piperidin-4-ol × 3 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	分辨率 1.90 Å R-free 0.244
8P1E X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001613. 提交 2023-05-11	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 × 5 PDB 声明：pentameric	链 A 1–229（229 aa）链 B 1–229（229 aa）链 C 1–229（229 aa）链 D 1–229（229 aa）链 E 1–229（229 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 GOL GLYCEROL × 4 SO4 SULFATE ION × 2 WD2 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	分辨率 2.10 Å R-free 0.241
8P1E X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001613. 提交 2023-05-11	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 × 5 PDB 声明：pentameric	链 F 1–229（229 aa）链 G 1–229（229 aa）链 H 1–229（229 aa）链 I 1–229（229 aa）链 J 1–229（229 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GOL GLYCEROL × 2 SO4 SULFATE ION × 1 WD2 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	分辨率 2.10 Å R-free 0.241
8P1F X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001909. 提交 2023-05-12	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 × 5 PDB 声明：pentameric	链 A 1–229（229 aa）链 B 1–229（229 aa）链 C 1–229（229 aa）链 D 1–229（229 aa）链 E 1–229（229 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 WCW 4-azanyl-1-phenyl-piperidine-4-carboxylic acid × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	分辨率 2.10 Å R-free 0.255
8P1F X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001909. 提交 2023-05-12	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 × 5 PDB 声明：pentameric	链 F 1–229（229 aa）链 G 1–229（229 aa）链 H 1–229（229 aa）链 I 1–229（229 aa）链 J 1–229（229 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 WCW 4-azanyl-1-phenyl-piperidine-4-carboxylic acid × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	分辨率 2.10 Å R-free 0.255
8P1F X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001909. 提交 2023-05-12	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 K 1–229（229 aa）链 L 1–229（229 aa）链 M 1–229（229 aa）链 N 1–229（229 aa）链 O 1–229（229 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	分辨率 2.10 Å R-free 0.255
8P1F X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001909. 提交 2023-05-12	突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 P 1–229（229 aa）链 Q 1–229（229 aa）链 R 1–229（229 aa）链 S 1–229（229 aa）链 T 1–229（229 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	分辨率 2.10 Å R-free 0.255
8P22 X-ray structure of acetylcholine-binding protein (AChBP) in complex with IOTA376. 提交 2023-05-14	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 10 PDB 声明：decameric	链 A 20–224（205 aa）链 B 20–224（205 aa）链 C 20–224（205 aa）链 D 20–224（205 aa）链 E 20–224（205 aa）链 F 20–224（205 aa）链 G 20–224（205 aa）链 H 20–224（205 aa）链 I 20–224（205 aa）链 J 20–224（205 aa）	未记录	WNO 2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine × 9 SO4 SULFATE ION × 3 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	分辨率 2.20 Å R-free 0.304
8XSU Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Dinotefuran 提交 2024-01-10	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 × 5 PDB 声明：pentameric	链 A 19–228（210 aa）链 B 19–228（210 aa）链 C 19–228（210 aa）链 D 20–225（206 aa）链 E 19–228（210 aa）	突变：Q55R 突变：Q55R 突变：Q55R 突变：Q55R 突变：Q55R	A1LW0 2-methyl-1-nitro-3-[(tetrahydro-3-furanyl) methyl] guanidine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.4；293 K；PEG4000 16.5 - 18.0% , sodium citrate 0.2M	分辨率 2.63 Å R-free 0.254
8XSW Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Complexed with Dinotefuran 提交 2024-01-10	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 × 5 PDB 声明：pentameric	链 A 19–227（209 aa）链 B 19–227（209 aa）链 C 19–227（209 aa）链 D 19–227（209 aa）链 E 19–227（209 aa）	突变：N66D 突变：N66D 突变：N66D 突变：N66D 突变：N66D	A1LW0 2-methyl-1-nitro-3-[(tetrahydro-3-furanyl) methyl] guanidine × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.7；293 K；0.2 M Na citrate, pH 5.7, 15-22% PEG3350, 1.0 mM dinotefuran,	分辨率 2.60 Å R-free 0.233
9SG3 X-ray structure of acetylcholine binding protein (AChBP) in complex with IOTA739 提交 2025-08-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 A 20–225（206 aa）链 B 20–225（206 aa）链 C 20–225（206 aa）链 D 20–225（206 aa）链 E 20–225（206 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 PHN 1,10-PHENANTHROLINE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulfate 1.8 M HEPES buffer 0.1M, pH 7.75	分辨率 3.00 Å R-free 0.269
9SG3 X-ray structure of acetylcholine binding protein (AChBP) in complex with IOTA739 提交 2025-08-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 5 PDB 声明：pentameric	链 F 20–225（206 aa）链 G 20–225（206 aa）链 H 20–225（206 aa）链 I 20–225（206 aa）链 J 20–225（206 aa）	未记录	PHN 1,10-PHENANTHROLINE × 2 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulfate 1.8 M HEPES buffer 0.1M, pH 7.75	分辨率 3.00 Å R-free 0.269

共 59 个其他 PDB 条目、115 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	ACHP_LYMST
Isoform	—
PDB实体	1, 2, 3
链与序列区间	作者链 A； PDB构建体 1–229； UniProt 1–229 作者链 B； PDB构建体 1–229； UniProt 1–229 作者链 C； PDB构建体 1–229； UniProt 1–229 作者链 D； PDB构建体 1–229； UniProt 1–229 作者链 E； PDB构建体 1–229； UniProt 1–229 作者链 F； PDB构建体 1–229； UniProt 1–229 作者链 G； PDB构建体 1–229； UniProt 1–229 作者链 H； PDB构建体 1–229； UniProt 1–229 作者链 I； PDB构建体 1–229； UniProt 1–229 作者链 J； PDB构建体 1–229； UniProt 1–229 作者链 K； PDB构建体 1–229； UniProt 1–229 作者链 L； PDB构建体 1–229； UniProt 1–229 作者链 M； PDB构建体 1–229； UniProt 1–229 作者链 N； PDB构建体 1–229； UniProt 1–229 作者链 O； PDB构建体 1–229； UniProt 1–229 作者链 Q； PDB构建体 1–229； UniProt 1–229 作者链 R； PDB构建体 1–229； UniProt 1–229 作者链 T； PDB构建体 1–229； UniProt 1–229 作者链 U； PDB构建体 1–229； UniProt 1–229 作者链 V； PDB构建体 1–229； UniProt 1–229 作者链 W； PDB构建体 1–229； UniProt 1–229 作者链 X； PDB构建体 1–229； UniProt 1–229 作者链 Y； PDB构建体 1–229； UniProt 1–229 作者链 Z； PDB构建体 1–229； UniProt 1–229 作者链 a； PDB构建体 1–229； UniProt 1–229 作者链 b； PDB构建体 1–229； UniProt 1–229 作者链 c； PDB构建体 1–229； UniProt 1–229 作者链 d； PDB构建体 1–229； UniProt 1–229 作者链 e； PDB构建体 1–229； UniProt 1–229 作者链 f； PDB构建体 1–229； UniProt 1–229 作者链 g； PDB构建体 1–229； UniProt 1–229 作者链 h； PDB构建体 1–229； UniProt 1–229 作者链 i； PDB构建体 1–229； UniProt 1–229 作者链 j； PDB构建体 1–229； UniProt 1–229 作者链 k； PDB构建体 1–229； UniProt 1–229 作者链 l； PDB构建体 1–229； UniProt 1–229 作者链 m； PDB构建体 1–229； UniProt 1–229 作者链 n； PDB构建体 1–229； UniProt 1–229 作者链 P； PDB构建体 1–228； UniProt 1–229 作者链 S； PDB构建体 1–229； UniProt 1–229

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	4um3
沉积日期 deposition_date	2014-05-14
结构标题 title	Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920
关键词 keywords	NICOTINIC ACETYLCHOLINE RECEPTOR, ION CHANNEL, RECEPTOR STOICHIOMETRY, CYS-LOOP RECEPTOR, SIGNALING PROTEIN; SIGNALING PROTEIN
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	70.04 Å
回转半径 Rg (电子) rg_electron	69.54 Å
零角强度 I(0) i0	23269000000.00
分子量 molecular_weight	844440.0 kDa
排除体积 excluded_volume	809930 Å³
包络体积 envelope_volume	1708000 Å³
水化壳体积 shell_volume	197900 Å³
包络直径 envelope_diameter	224.4 Å
壳层 Rg shell_rg	75.41 Å
包络 Rg envelope_rg	67.00 Å
形状 Rg shape_rg	69.52 Å
总 Rg total_rg	69.62 Å
总原子数 total_atoms	63818
残基数 n_residues	7922
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	255.6 Å
Rg (实空间) rg_real	72.83 Å
Rg 误差 (实空间) rg_real_error	1.42 Å
I(0) (实空间) i0_real	2.3300e+10
I(0) 误差 (实空间) i0_real_error	4.6190e+08
Rg (倒空间) rg_reciprocal	70.92 Å
I(0) (倒空间) i0_reciprocal	23320000000.0000
解质量估计 total_estimate	0.8933
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	92.9 Å
偏度 Skewness skewness	0.433
峰度 Kurtosis kurtosis	0.340
角度范围 angular_range	— – 0.1100 Å⁻¹
当前正则化参数 α current_alpha	0.8713
最高正则化参数 α highest_alpha	1931000000.0000
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: 0.702; Stabil: 0.901; Sysdev: 1.000; Positv: 1.000; Valcen: 0.941; Smooth: 0.967

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

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6. 实体与聚合物信息 Entities & Polymers (7)

实体 1 Entity 1 polymer

描述 description	ACETYLCHOLINE BINDING PROTEIN
分子量 formula_weight	26053.1 kDa
突变 mutation	YES
来源方法 src_method	man
拷贝数 entity_count	38

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,M,N,O,Q,R,T,U,V,W,X,Y,Z,a,b,c,d,e,f,g,h,i,j,k,l,m,n
原子数 atom_count	64774

MRRNIFCLACLWIVQACLSLDRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEITNEVDVVFWQQTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLTPQLAHVVSDGEVQYTPSIRQRFSCDVSGVDTESGATCRIKIGSWTHHSREISVDPTTENSDDSEYFSQYSRFEILDVTQKKNSVTYSCCPEAYEDVEVSLNFRKKGRSEIL

来源 Source

来源生物 organism	LYMNAEA STAGNALIS
通用名 common_name	GREAT POND SNAIL
NCBI 分类编号 ncbi_taxonomy_id	6523
宿主生物 host_organism	SPODOPTERA FRUGIPERDA

实体 2 Entity 2 polymer

描述 description	ACETYLCHOLINE BINDING PROTEIN
分子量 formula_weight	25938.1 kDa
突变 mutation	YES
来源方法 src_method	man
拷贝数 entity_count	1

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	P

MRRNIFCLACLWIVQACLSLDRADILYNIRQTSRPDVIPTQRRPVAVSVSLKFINILEVNEITNEVDVVFWQQTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLTPQLAHVVSDGEVQYTPSIRQRFSCDVSGVDTESGATCRIKIGSWTHHSREISVDPTTENSDDSEYFSQYSRFEILDVTQKKNSVTYSCCPEAYEDVEVSLNFRKKGRSEIL

来源 Source

来源生物 organism	LYMNAEA STAGNALIS
通用名 common_name	GREAT POND SNAIL
NCBI 分类编号 ncbi_taxonomy_id	6523
宿主生物 host_organism	SPODOPTERA FRUGIPERDA

实体 3 Entity 3 polymer

描述 description	ACETYLCHOLINE BINDING PROTEIN
分子量 formula_weight	26052.2 kDa
突变 mutation	YES
来源方法 src_method	man
拷贝数 entity_count	1

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	S

MRRNIFCLACLWIVQACLSLDRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEITNEVDVVFWQQTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLTPQLAHVVSDGEVQYTPSIRQRFSCDVSGVDTQSGATCRIKIGSWTHHSREISVDPTTENSDDSEYFSQYSRFEILDVTQKKNSVTYSCCPEAYEDVEVSLNFRKKGRSEIL

来源 Source

来源生物 organism	LYMNAEA STAGNALIS
通用名 common_name	GREAT POND SNAIL
NCBI 分类编号 ncbi_taxonomy_id	6523
宿主生物 host_organism	SPODOPTERA FRUGIPERDA

实体 4 Entity 4 non-polymer

描述 description	1-(6-bromopyridin-3-yl)-1,4-diazepane
分子量 formula_weight	256.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	40

实体 5 Entity 5 non-polymer

描述 description	2-acetamido-2-deoxy-beta-D-glucopyranose
分子量 formula_weight	221.2 kDa
来源方法 src_method	man
拷贝数 entity_count	3

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	1

实体 7 Entity 7 water

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	836

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7. 折叠分类 (SCOP + CATH) 66 domains

SCOP 2.08 (26 domains)

结构域编号 domain_id	d4um3a_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3b_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3c_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3d_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3e_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3f_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3g_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3h_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3i_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3j_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3k_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3l_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3m_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3n_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3o_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3p_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3q_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3r_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3s_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3t_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3u_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3v_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3w_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3x_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3y_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

结构域编号 domain_id	d4um3z_
类 Class class	b — All beta proteins
折叠类型 Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
超家族 Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
家族 Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

CATH v4.4 (40 domains)

结构域编号 domain_id	4um3A00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3B00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3C00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3D00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3E00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3F00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3G00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3H00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3I00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3J00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3K00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3L00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3M00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3N00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3O00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3P00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3Q00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3R00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3S00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3T00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3U00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3V00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3W00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3X00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3Y00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3Z00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3a00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3b00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3c00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3d00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3e00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3f00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3g00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3h00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3i00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3j00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3k00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3l00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3m00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

结构域编号 domain_id	4um3n00
类 Class class	2 — Mainly Beta
架构 Architecture architecture	70 — Distorted Sandwich
拓扑 Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
同源超家族 H-superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

▶

8. 引用文献 (1)

▶

晶胞边长 a length_a	135.490 Å
晶胞边长 b length_b	145.418 Å
晶胞边长 c length_c	234.906 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	101.29 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	76

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

分辨率 resolution	2.703 Å
最低分辨率 resolution_low	30.071 Å
R 因子 r_factor	0.1990
R_work r_work	0.1981
R_free r_free	0.2440

Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920

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

ACETYLCHOLINE BINDING PROTEIN

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 (7)

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 non-polymer

实体 7 Entity 7 water

7. 折叠分类 (SCOP + CATH) 66 domains

SCOP 2.08 (26 domains)

CATH v4.4 (40 domains)

8. 引用文献 (1)

9. 文件与曲线 (10)

Files (7)

Curves (3)

fit	/app/data/saxs_computation/um/4um3/4um3.fit
pddf	/app/data/pr_computation/um/4um3/4um3.pr.out
profile	/app/data/saxs_computation/um/4um3/4um3.dat