1odc

STRUCTURE OF ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH N-4'-QUINOLYL-N'-9"-(1",2",3",4"-TETRAHYDROACRIDINYL)-1,8- DIAMINOOCTANE AT 2.2A RESOLUTION

Method: X-RAY DIFFRACTION D_max: 75.0 Å Quality: GOOD

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

ACETYLCHOLINESTERASE

物种未注明

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 × 2 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 A； UniProt 22–564	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 A8B N-QUINOLIN-4-YL-N'-(1,2,3,4-TETRAHYDROACRIDIN-9-YL)OCTANE-1,8-DIAMINE × 2	X-RAY DIFFRACTION X-ray结晶条件：pH 5.8；277 K；PROTEIN WAS CRYSTALLISED FROM 28-33% V/V PEG 200 0.5M MES PH 5.8 AT 4 DEG. CELSIUS; THEN SOAKED IN MOTHER LIQUOR (40% V/V PEG 200 IN 0.1 M MES BUFFER, PH 5.8) CONTAINING 1MM N-4'-QUINOLYL-N'-9"-(1",2", 3",4"-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE DIHYRDOCHLORIDE FOR ONE DAY.	分辨率 2.20 Å R-free 0.240

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 1ODC	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
1ACJ QUATERNARY LIGAND BINDING TO AROMATIC RESIDUES IN THE ACTIVE-SITE GORGE OF ACETYLCHOLINESTERASE 提交 1993-08-18	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–556（535 aa）	未记录	THA TACRINE × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.80 Å
1ACL QUATERNARY LIGAND BINDING TO AROMATIC RESIDUES IN THE ACTIVE-SITE GORGE OF ACETYLCHOLINESTERASE 提交 1993-08-18	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–556（535 aa）	未记录	DME DECAMETHONIUM ION × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.80 Å
1AMN TRANSITION STATE ANALOG: ACETYLCHOLINESTERASE COMPLEXED WITH M-(N,N,N-TRIMETHYLAMMONIO)TRIFLUOROACETOPHENONE 提交 1996-02-13	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	未记录	SO4 SULFATE ION × 2 NAF M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.80 Å R-free 0.235
1AX9 ACETYLCHOLINESTERASE COMPLEXED WITH EDROPHONIUM, LAUE DATA 提交 1997-11-03	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	未记录	EDR EDROPHONIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；277 K；PROTEIN WAS CRYSTALLISED FROM 40 % PEG200, 100 MM MES, PH 5.8 AT 4 DEGREES C, temperature 277K	分辨率 2.80 Å R-free 0.268
1CFJ METHYLPHOSPHONYLATED ACETYLCHOLINESTERASE (AGED) OBTAINED BY REACTION WITH O-ISOPROPYLMETHYLPHOSPHONOFLUORIDATE (GB, SARIN) 提交 1999-03-19	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 22–558（537 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GB METHYLPHOSPHONIC ACID ESTER GROUP × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6；277 K；35-40% (W/V) PEG-200 0.15 M MES BUFFER PH 6, 0.05 M NACL, 4 DEG C , temperature 277.0K	分辨率 2.60 Å R-free 0.247
1DX6 STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH (-)-GALANTHAMINE AT 2.3A RESOLUTION 提交 1999-12-21	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 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）	未记录	PG4 TETRAETHYLENE GLYCOL × 2 GNT (-)-GALANTHAMINE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；277 K；PROTEIN WAS CRYSTALLISED FROM 35-40% W/V PEG 200, 0.1M MES PH 5.8, 4 DEG. CELSIUS	分辨率 2.30 Å R-free 0.235
1E3Q TORPEDO CALIFORNICA ACETYLCHOLINESTERASE COMPLEXED WITH BW284C51 提交 2000-06-21	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）	未记录	EBW 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM × 2 SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；pH 5.80	分辨率 2.85 Å R-free 0.234
1E66 STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH (-)-HUPRINE X AT 2.1A RESOLUTION 提交 2000-08-08	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 HUX 3-CHLORO-9-ETHYL-6,7,8,9,10,11-HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-12-AMINE × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5.6；277 K；PROTEIN WAS CRYSTALLISED FROM 35-40% W/V PEG 200 0.3M MES PH 5.6 4 DEG. CELSIUS	分辨率 2.10 Å R-free 0.205
1EA5 NATIVE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA at 1.8A resolution 提交 2000-11-06	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；277 K；PROTEIN WAS CRYSTALLIZED FROM 35% PEG 200, 100 MM MES, PH 5.8, AT 4 DEG.	分辨率 1.80 Å R-free 0.205
1EEA Acetylcholinesterase 提交 1999-01-26	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–555（534 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 8；pH 8.0	分辨率 4.50 Å
1EVE THREE DIMENSIONAL STRUCTURE OF THE ANTI-ALZHEIMER DRUG, E2020 (ARICEPT), COMPLEXED WITH ITS TARGET ACETYLCHOLINESTERASE 提交 1998-03-04	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 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 A 22–564（543 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 E20 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；pH 5.8	分辨率 2.50 Å R-free 0.228
1FSS ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH FASCICULIN-II 提交 1995-10-25	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 A 22–558（537 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ZN ZINC ION × 4	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 3.00 Å R-free 0.310
1GPK Structure of Acetylcholinesterase Complex with (+)-Huperzine A at 2.1A Resolution 提交 2001-11-05	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）片段：RESIDUES 22-558	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 HUP Huperzine A × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；pH 5.80	分辨率 2.10 Å R-free 0.213
1GPN STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH HUPERZINE B AT 2.35A RESOLUTION 提交 2001-11-07	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 22–558（537 aa）片段：RESIDUES 22-558	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 HUB HUPERZINE B × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 5.6；pH 5.60	分辨率 2.35 Å R-free 0.216
1GQR ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH RIVASTIGMINE 提交 2001-12-04	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 25–556（532 aa）片段：RESIDUES 25-556	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 SAF 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL × 1 EMM [METHYL(VINYL)AMINO]METHANOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；pH 5.80	分辨率 2.20 Å R-free 0.236
1GQS ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH NAP 提交 2001-12-04	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 25–556（532 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 SAF 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；pH 5.80	分辨率 3.00 Å R-free 0.262
1H22 Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(10)-hupyridone at 2.15A resolution 提交 2002-07-30	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）	未记录	E10 (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,10-DIAMINODECANE DIHYDROCHLORIDE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；277 K；PROTEIN WAS CRYSTALLISED FROM 28-30% V/V PEG 200 0.5M MES PH 5.8 AT 4 DEG. CELSIUS; THEN SOAKED IN MOTHER LIQUOR (40% V/V PEG 200 IN 0.1 M MES BUFFER, PH 5.8) CONTAINING 2MM (S,S)-(-)-BIS(10)-HUPYRIDONE DIHYDROCHLORIDE FOR ONE DAY.	分辨率 2.15 Å R-free 0.221
1H23 Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(12)-hupyridone at 2.15A resolution 提交 2002-07-30	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）	未记录	E12 (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,12-DIAMINODODECANE DIHYDROCHLORIDE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；277 K；PROTEIN WAS CRYSTALLISED FROM 28-30% V/V PEG 200 0.5M MES PH 5.8 AT 4 DEG. CELSIUS; THEN SOAKED IN IN MOTHER LIQUOR (40% V/V PEG 200 IN 0.1 M MES BUFFER, PH 5.8) CONTAINING 10MM (S,S)-(-)-BIS(12)-HUPYRIDONE DIHYDROCHLORIDE FOR 2 DAYS	分辨率 2.15 Å R-free 0.215
1HBJ X-ray Crystal structure of complex between Torpedo californica AChE and a reversible inhibitor, 4-Amino-5-fluoro-2-methyl-3-(3-trifluoroacetylbenzylthiomethyl)quinoline 提交 2001-04-16	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）片段：GPI-ANCHOR REMOVED, RESIDUES 22-564	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 FBQ 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 PG4 TETRAETHYLENE GLYCOL × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；277 K；PROTEIN WAS CRYSTALLISED FROM 35-40% W/V PEG 200 0.1M MES PH 5.8 4 DEG. CELSIUS	分辨率 2.50 Å R-free 0.214
1JJB A neutral molecule in cation-binding site: Specific binding of PEG-SH to Acetylcholinesterase from Torpedo californica 提交 2001-07-04	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 25–556（532 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 PE7 1-DEOXY-1-THIO-HEPTAETHYLENE GLYCOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.8；298 K；34% PEG 200, 0.05M MES, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K	分辨率 2.30 Å R-free 0.224
1OCE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH MF268 提交 1998-06-12	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	未记录	MF2 CIS-2,6-DIMETHYLMORPHOLINOOCTYLCARBAMYLESEROLINE × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 6；pH 6.0	分辨率 2.70 Å R-free 0.291
1QID SPECIFIC CHEMICAL AND STRUCTURAL DAMAGE AT NINE TIME POINTS (POINT A) CAUSED BY INTENSE SYNCHROTRON RADIATION TO TORPEDO CALIFORNICA ACETYLCHOLINESTERASE 提交 1999-06-13	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；277 K；30% PEG 200, 0.3 M MES, pH 5.8, temperature 277K	分辨率 2.05 Å R-free 0.229
1QIE SPECIFIC CHEMICAL AND STRUCTURAL DAMAGE AT NINE TIME POINTS (POINT B) CAUSED BY INTENSE SYNCHROTRON RADIATION TO TORPEDO CALIFORNICA ACETYLCHOLINESTERASE 提交 1999-06-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；292 K；30% PEG 200, 0.3 M MES, pH 5.8, temperature 292K	分辨率 2.10 Å R-free 0.230
1QIF SPECIFIC CHEMICAL AND STRUCTURAL DAMAGE AT NINE TIME POINTS (POINT C) CAUSED BY INTENSE SYNCHROTRON RADIATION TO TORPEDO CALIFORNICA ACETYLCHOLINESTERASE 提交 1999-06-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；292 K；30% PEG 200, 0.3 M MES, pH 5.8, temperature 292K	分辨率 2.10 Å R-free 0.227
1QIG SPECIFIC CHEMICAL AND STRUCTURAL DAMAGE AT NINE TIME POINTS (POINT D) CAUSED BY INTENSE SYNCHROTRON RADIATION TO TORPEDO CALIFORNICA ACETYLCHOLINESTERASE 提交 1999-06-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；292 K；30% PEG 200, 0.3 M MES, pH 5.8, temperature 292K	分辨率 2.30 Å R-free 0.220
1QIH SPECIFIC CHEMICAL AND STRUCTURAL DAMAGE AT NINE TIME POINTS (POINT E) CAUSED BY INTENSE SYNCHROTRON RADIATION TO TORPEDO CALIFORNICA ACETYLCHOLINESTERASE 提交 1999-06-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；30% PEG 200, 0.3 M MES, pH 5.80	分辨率 2.50 Å R-free 0.216
1QII SPECIFIC CHEMICAL AND STRUCTURAL DAMAGE AT NINE TIME POINTS (POINT F) CAUSED BY INTENSE SYNCHROTRON RADIATION TO TORPEDO CALIFORNICA ACETYLCHOLINESTERASE 提交 1999-06-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；292 K；30% PEG 200, 0.3 M MES, pH 5.8, temperature 292K	分辨率 2.65 Å R-free 0.219
1QIJ SPECIFIC CHEMICAL AND STRUCTURAL DAMAGE AT NINE TIME POINTS (POINT G) CAUSED BY INTENSE SYNCHROTRON RADIATION TO TORPEDO CALIFORNICA ACETYLCHOLINESTERASE 提交 1999-06-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；292 K；30% PEG 200, 0.3 M MES, pH 5.8, temperature 292K	分辨率 2.80 Å R-free 0.223
1QIK SPECIFIC CHEMICAL AND STRUCTURAL DAMAGE AT NINE TIME POINTS (POINT H) CAUSED BY INTENSE SYNCHROTRON RADIATION TO TORPEDO CALIFORNICA ACETYLCHOLINESTERASE 提交 1999-06-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；292 K；30% PEG 200, 0.3 M MES, pH 5.8, temperature 292K	分辨率 2.90 Å R-free 0.226
1QIM SPECIFIC CHEMICAL AND STRUCTURAL DAMAGE AT NINE TIME POINTS (POINT I) CAUSED BY INTENSE SYNCHROTRON RADIATION TO TORPEDO CALIFORNICA ACETYLCHOLINESTERASE 提交 1999-06-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；292 K；30% PEG 200, 0.3 M MES, pH 5.8, temperature 292K	分辨率 3.00 Å R-free 0.216
1QTI Acetylcholinesterase (E.C.3.1.1.7) 提交 1999-06-28	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–537（537 aa）	未记录	GNT (-)-GALANTHAMINE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；40% PEG 200, 100MM MES (pH 6.0), VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.50 Å R-free 0.236
1SOM TORPEDO CALIFORNICA ACETYLCHOLINESTERASE INHIBITED BY NERVE AGENT GD (SOMAN). 提交 1999-03-17	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 UNX UNKNOWN LIGAND × 20 VXA METHYLPHOSPHONIC ACID ESTER GROUP × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 6；277 K；PROTEIN WAS CRYSTALLIZED FROM 35-40% W/V PEG 200 0.15M MES PH 6.0 0.05M NACL 4 DEG. CELSIUS , temperature 277.0K	分辨率 2.20 Å R-free 0.251
1U65 Ache W. CPT-11 提交 2004-07-29	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 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CP0 (4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE × 2 IOD IODIDE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；pH 7.5	分辨率 2.61 Å R-free 0.237
1UT6 Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with N-9-(1',2',3',4'-Tetrahydroacridinyl)-1,8- diaminooctane at 2.4 angstroms resolution. 提交 2003-12-04	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 A8N N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；277 K；PROTEIN WAS CRYSTALLISED FROM 28-33% V/V PEG 200 0.5M MES PH 5.8 AT 4 DEG. CELSIUS; THEN SOAKED IN MOTHER LIQUOR (40% V/V PEG 200 IN 0.1 M MES BUFFER, PH 5.8) CONTAINING 2MM N-9-(1',2',3',4'-TETRAHYDROACRIDINYL) -1,8-DIAMINOOCTANE BIS-HYDROCHLORIDE (A8NH2.2HCL)	分辨率 2.40 Å R-free 0.240
1VOT ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH HUPERZINE A 提交 1996-06-23	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	未记录	HUP Huperzine A × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；pH 5.8	分辨率 2.50 Å R-free 0.248
1VXO METHYLPHOSPHONYLATED ACETYLCHOLINESTERASE (AGED) OBTAINED BY REACTION WITH O-ETHYL-S-[2-[BIS(1-METHYLETHYL)AMINO]ETHYL] METHYLPHOSPHONOTHIOATE (VX) 提交 1999-04-21	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 22–558（537 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 VXA METHYLPHOSPHONIC ACID ESTER GROUP × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6；277 K；35-40% (W/V) PEG-200 0.15 M MES BUFFER PH 6, 0.05 M NACL, pH 6.00, temperature 277.00K	分辨率 2.40 Å R-free 0.234
1VXR O-ETHYLMETHYLPHOSPHONYLATED ACETYLCHOLINESTERASE OBTAINED BY REACTION WITH O-ETHYL-S-[2-[BIS(1-METHYLETHYL)AMINO]ETHYL] METHYLPHOSPHONOTHIOATE (VX) 提交 1999-04-21	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 VX O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 6；277 K；35-40% (W/V) PEG-200 0.15 M MES BUFFER PH 6, 0.05 M NACL, pH 6.00, temperature 277.00K	分辨率 2.20 Å R-free 0.230
1W4L Complex of TcAChE with bis-acting galanthamine derivative 提交 2004-07-25	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 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 GL8 GALANTHAMINE DERIVATIVE × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5.5；277 K；PROTEIN WAS CRYSTALLISED FROM 35-40% W/V PEG 200 0.1M MES PH 5.8 4 DEG. CELSIUS	分辨率 2.16 Å R-free 0.218
1W6R Complex of TcAChE with galanthamine derivative 提交 2004-08-23	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）片段：RESIDUES 22-564	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 GNT (-)-GALANTHAMINE × 2 MG MAGNESIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；277 K；35-40% W/V PEG 200, 0.1M MES PH 5.8, 4DEG. C	分辨率 2.05 Å R-free 0.232
1W75 Native Orthorhombic form of Torpedo californica acetylcholinesterase (AChE) 提交 2004-08-29	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 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）片段：RESIDUES 22-564 链 B 22–564（543 aa）片段：RESIDUES 22-564	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4	X-RAY DIFFRACTION X-ray结晶条件 PROTEIN IN 100MM NACL, 0.01%NAN3, 1MM MES PH6.5, MIXED 1/1 WITH SOLUBILIZED LI5 (PW11O39RHCH2COOH), 3 MICROLITER OF THIS MIXTURE WAS MIXED WITH 3 MICROLITER OF 40% PEG200 IN 0.5M MES PH5.8, SUSPENDED OVER WELL WITH 36%PEG200 IN 0.5M MES, PH 5.8	分辨率 2.40 Å R-free 0.247
1W76 Orthorhombic form of Torpedo californica acetylcholinesterase (AChE) complexed with bis-acting galanthamine derivative 提交 2004-08-30	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 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）片段：RESIDUES 22-564 链 B 22–564（543 aa）片段：RESIDUES 22-564	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 GNT (-)-GALANTHAMINE × 2	X-RAY DIFFRACTION X-ray结晶条件 277 K；35-40% W/V PEG 200, 0.1M MES PH5.8 4 DEG. CELSIUS	分辨率 2.30 Å R-free 0.283
1ZGB Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (R)-Tacrine(10)-Hupyridone Inhibitor. 提交 2005-04-21	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 A1E (5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE × 2	X-RAY DIFFRACTION X-ray结晶条件 277 K；PEG 200, pH 5.8, temperature 277K, VAPOR DIFFUSION, HANGING DROP. PROTEIN WAS CRYSTALLISED FROM 28% V/V PEG 200 0.5 M MES PH 5.8 AT 277K, SEEDING WITH TRIGONAL MICROCRYSTALS; THEN SOAKED IN MOTHER LIQUOR (40% V/V PEG 200 IN 0.1 M MES BUFFER, PH 5.8) CONTAINING 2 MM (RS)-(+/-)- TACRINE(10)-HUPYRIDONE ((5RS)-(+/-)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO) DECYL] AMINO}-5,6,7,8-TETRAHYDRO-QUINOLIN-2(1H)-ONE) BIS-OXALATE FOR 17 HOURS.	分辨率 2.30 Å R-free 0.230
1ZGC Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (RS)-Tacrine(10)-Hupyridone Inhibitor. 提交 2005-04-21	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）链 B 22–564（543 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 A2E (5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE × 2	X-RAY DIFFRACTION X-ray结晶条件 277 K；PEG 200, pH 5.8, temperature 277K, VAPOR DIFFUSION, SITTING DROP. PROTEIN WAS CRYSTALLISED FROM 28-30% V/V PEG 200 0.5 M MES PH 5.8 AT 277K, WITHOUT SEEDING WITH MICROCRYSTALS; THEN SOAKED IN MOTHER LIQUOR (40% V/V PEG 200 IN 0.1 M MES BUFFER, PH 5.8) CONTAINING 4MM (RS)-(+/-)- TACRINE(10)-HUPYRIDONE ((5RS)-(+/-)-5-{[10-(1,2,3,4- TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}5,6,7,8-TETRAHYDRO-QUINOLIN-2(1H)-ONE) BIS-OXALATE FOR 40 HOURS.	分辨率 2.10 Å R-free 0.247
2ACE NATIVE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA 提交 1996-06-23	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	未记录	ACH ACETYLCHOLINE × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；277 K；PROTEIN WAS CRYSTALLIZED FROM 35% PEG 200, 100 MM MES, PH 5.8, AT 4 DEG., temperature 277K	分辨率 2.50 Å R-free 0.258
2ACK ACETYLCHOLINESTERASE COMPLEXED WITH EDROPHONIUM, MONOCHROMATIC DATA 提交 1997-10-29	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	未记录	EDR EDROPHONIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；277 K；PROTEIN WAS CRYSTALLISED FROM 40 % PEG200, 100 MM MES, PH 5.8 AT 4 DEGREES C., temperature 277K	分辨率 2.40 Å R-free 0.257
2BAG 3D Structure of Torpedo californica acetylcholinesterase complexed with Ganstigmine 提交 2005-10-14	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 1PE PENTAETHYLENE GLYCOL × 2 GSG 1S,3AS,8AS-TRIMETHYL-1-OXIDO-1,2,3,3A,8,8A-HEXAHYDROPYRROLO[2,3-B]INDOL-5-YL 2-ETHYLPHENYLCARBAMATE × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；40% PEG200, 100mM MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.40 Å R-free 0.236
2C4H Torpedo californica acetylcholinesterase in complex with 500mM acetylthiocholine 提交 2005-10-19	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 22–558（537 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 PGE TRIETHYLENE GLYCOL × 2 AT3 ACETYLTHIOCHOLINE × 2 ACE ACETYL GROUP × 1 CL CHLORIDE ION × 11 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 6；277 K；32% PEG200, 150MM MES, PH6, 4 DEG. C. THE CRYSTAL WAS SOAKED IN A 1.5ML MOTHER LIQUOR SOLUTION CONTAINING 500MM OF THE SUBSTRATE ACETYLTHIOCHOLINE, 40 MINUTES PRIOR TO DATA COLLECTION, pH 6.00	分辨率 2.15 Å R-free 0.209
2C58 Torpedo californica acetylcholinesterase in complex with 20mM acetylthiocholine 提交 2005-10-26	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 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	非标准单体：是（mmCIF未提供具体位点）	ETM 2-(TRIMETHYLAMMONIUM)ETHYL THIOL × 2 AT3 ACETYLTHIOCHOLINE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 PGE TRIETHYLENE GLYCOL × 8 CL CHLORIDE ION × 14	X-RAY DIFFRACTION X-ray结晶条件 pH 6；277 K；32% PEG200, 150MM MES, PH6, 4DEG. C. THE CRYSTAL UNDERWENT 9 SUCCESSIVE SOAKINGS OF 1 HOUR PLUS 1 SOAKING OF 10 MINUTES IN 200 MICROLITER FRESH MOTHER LIQUOR SOLUTIONS, CONTAINING 20MM OF THE SUBSTRATE ACETYLTHIOCHOLINE., pH 6.00	分辨率 2.30 Å R-free 0.210
2C5F Torpedo californica acetylcholinesterase in complex with a non hydrolysable substrate analogue, 4-oxo-N,N,N-trimethylpentanaminium 提交 2005-10-27	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 PGE TRIETHYLENE GLYCOL × 6 NWA 4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM × 2 CHH N,N,N-TRIMETHYL-4-OXOPENTAN-1-AMINIUM × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 6；277 K；32% PEG200, 150MM MES, PH6, 4 DEG. C, pH 6.00	分辨率 2.60 Å R-free 0.220
2C5G Torpedo californica acetylcholinesterase in complex with 20mM thiocholine 提交 2005-10-27	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	未记录	ETM 2-(TRIMETHYLAMMONIUM)ETHYL THIOL × 4 CL CHLORIDE ION × 14 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 PGE TRIETHYLENE GLYCOL × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 6；277 K；32% PEG200, 150MM MES, PH6, 4 DEG. C, pH 6.00	分辨率 1.95 Å R-free 0.186
2CEK Conformational Flexibility in the Peripheral Site of Torpedo californica Acetylcholinesterase Revealed by the Complex Structure with a Bifunctional Inhibitor 提交 2006-02-08	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–556（535 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 N8T N-[8-(1,2,3,4-TETRAHYDROACRIDIN-9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN-9-AMINE × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 4 PGE TRIETHYLENE GLYCOL × 8	X-RAY DIFFRACTION X-ray结晶条件 pH 6；277 K；32% PEG200, 150MM MES, PH6.0, 4DEG. C. 12 HOURS OF SOAKING WITH A PUTATIVE ANTI-ALZHEIMER DRUG.	分辨率 2.20 Å R-free 0.206
2CKM Torpedo californica acetylcholinesterase complexed with alkylene- linked bis-tacrine dimer (7 carbon linker) 提交 2006-04-20	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）	未记录	AA7 N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLHEPTANE-1,7-DIAMINE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；277 K；28-33% V/V PEG 200, 0.5M MES PH5.8, 4DEG CELSIUS, SEEDING, pH 5.80	分辨率 2.15 Å R-free 0.249
2CMF Torpedo californica acetylcholinesterase complexed with alkylene- linked bis-tacrine dimer (5 carbon linker) 提交 2006-05-08	配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）	未记录	F11 N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLPENTANE-1,5-DIAMINE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；277 K；28-33% V/V PEG 200, 0.5MM MES PH5.8, 4DEG C, SEEDING, pH 5.80	分辨率 2.50 Å R-free 0.257
2DFP X-RAY STRUCTURE OF AGED DI-ISOPROPYL-PHOSPHORO-FLUORIDATE (DFP) BOUND TO ACETYLCHOLINESTERASE 提交 1998-12-07	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 23–556（534 aa）	非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；277 K；pH 5.8, temperature 277K	分辨率 2.30 Å R-free 0.228
2J3D Native monoclinic form of Torpedo acetylcholinesterase 提交 2006-08-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）片段：RESIDUES 22-564	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 MG MAGNESIUM ION × 10	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.60 Å R-free 0.261
2J3Q Torpedo acetylcholinesterase complexed with fluorophore thioflavin T 提交 2006-08-23	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 22–564（543 aa）片段：RESIDUES 22-564	未记录	TFL 2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-3-METHYL-1,3-BENZOTHIAZOL-3-IUM × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 MG MAGNESIUM ION × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.80 Å R-free 0.257
2J4F Torpedo acetylcholinesterase - Hg heavy-atom derivative 提交 2006-08-30	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）片段：RESIDUES 22-564	未记录	HG MERCURY (II) ION × 4	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.80 Å R-free 0.262
2V96 Structure of the unphotolysed complex of TcAChE with 1-(2- nitrophenyl)-2,2,2-trifluoroethyl-arsenocholine at 100K 提交 2007-08-22	构建体不同突变/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 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）链 B 22–558（537 aa）	未记录	CFQ 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 6；277 K；CRYSTALLIZATION CONDITIONS: 32% PEG200, 150MM MES, PH6, 4 DEG.C. THE CRYSTAL WAS SOAKED IN A 1.5ML MOTHER LIQUOR SOLUTION CONTAINING 0.5MM OF CAGED ARSENOCHOLINE DURING 12 HOURS IN THE DARK AT 4 DEG. C., pH 6.0	分辨率 2.40 Å R-free 0.242
2V97 Structure of the unphotolysed complex of TcAChE with 1-(2- nitrophenyl)-2,2,2-trifluoroethyl-arsenocholine after a 9 seconds annealing to room temperature 提交 2007-08-22	构建体不同突变/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 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）链 B 22–558（537 aa）	未记录	CL CHLORIDE ION × 1 CFQ 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 6；277 K；32% PEG200, 150MM MES, PH6, 4 DEG. C. THE CRYSTAL WAS SOAKED IN A MOTHER LIQUOR SOLUTION CONTAINING 0.5MM CAGED ARSENOCHOLINE DURING 12 HOURS, IN THE DARK AND AT 4 DEG. C., pH 6.0	分辨率 2.40 Å R-free 0.272
2V98 Structure of the complex of TcAChE with 1-(2-nitrophenyl)-2,2,2- trifluoroethyl-arsenocholine after a 9 seconds annealing to room temperature, during the first 5 seconds of which laser irradiation at 266nm took place 提交 2007-08-22	构建体不同突变/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 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）链 B 22–558（537 aa）	未记录	CL CHLORIDE ION × 1 CFQ 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 6；277 K；32% PEG200, 150MM MES, PH6, 4 DEG. C. THE CRYSTAL WAS SOAKED IN A MOTHER LIQUOR SOLUTION CONTAINING 0.5MM CAGED ARSENOCHOLINE DURING 12 HOURS, IN THE DARK AND AT 4 DEG. C., pH 6.0	分辨率 3.00 Å R-free 0.249
2VA9 Structure of native TcAChE after a 9 seconds annealing to room temperature during the first 5 seconds of which laser irradiation at 266nm took place 提交 2007-08-30	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 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）片段：RESIDUES 22-558 链 B 22–558（537 aa）片段：RESIDUES 22-558	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 6；277 K；32% PEG200, 150MM MES, PH6, 4 DEG. C., pH 6.0	分辨率 2.40 Å R-free 0.248
2VJA Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset A at 100K 提交 2007-12-09	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 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）片段：RESIDUES 22-558 链 B 22–558（537 aa）片段：RESIDUES 22-558	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CL CHLORIDE ION × 4 CCD (4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM × 4 PGE TRIETHYLENE GLYCOL × 3	X-RAY DIFFRACTION X-ray结晶条件 pH 6；277 K；32% PEG200, 150MM MES, PH6, 4 DEG. C. 2 HOURS SOAKING IN MOTHER LIQUOR SOLUTION CONTAINING 0.5 MM OTMA, pH 6.0	分辨率 2.30 Å R-free 0.254
2VJB Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset D at 100K 提交 2007-12-09	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 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）片段：RESIDUES 22-558 链 B 22–558（537 aa）片段：RESIDUES 22-558	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CL CHLORIDE ION × 4 CCD (4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM × 4 PGE TRIETHYLENE GLYCOL × 3	X-RAY DIFFRACTION X-ray结晶条件 pH 6；277 K；32% PEG200, 150MM MES, PH6, 4 DEG. C. 2 HOURS SOAKING IN MOTHER LIQUOR SOLUTION CONTAINING 0.5 MM OTMA, pH 6.0	分辨率 2.39 Å R-free 0.244
2VJC Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset A at 150K 提交 2007-12-09	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 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）片段：RESIDUES 22-558 链 B 22–558（537 aa）片段：RESIDUES 22-558	未记录	CL CHLORIDE ION × 4 CCD (4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM × 2 CHH N,N,N-TRIMETHYL-4-OXOPENTAN-1-AMINIUM × 2 PGE TRIETHYLENE GLYCOL × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 6；277 K；32% PEG200, 150MM MES, PH6, 4 DEG. C. 2 HOURS SOAKING IN MOTHER LIQUOR SOLUTION CONTAINING 0.5 MM OTMA, pH 6.0	分辨率 2.30 Å R-free 0.238
2VJD Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset C at 150K 提交 2007-12-09	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 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）片段：RESIDUES 22-558 链 B 22–558（537 aa）片段：RESIDUES 22-558	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CL CHLORIDE ION × 4 CCD (4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM × 4 PGE TRIETHYLENE GLYCOL × 3	X-RAY DIFFRACTION X-ray结晶条件 pH 6；277 K；32% PEG200, 150MM MES, PH6, 4 DEG. C. 2 HOURS SOAKING IN MOTHER LIQUOR SOLUTION CONTAINING 0.5 MM OTMA, pH 6.0	分辨率 2.30 Å R-free 0.250
2VQ6 Torpedo californica acetylcholinesterase complexed with 2-PAM 提交 2008-03-11	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 22–564（543 aa）片段：RESIDUES 22-464	未记录	FP1 N-hydroxy-1-(1-methylpyridin-2(1H)-ylidene)methanamine × 1 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.71 Å R-free 0.234
2VT6 Native Torpedo californica acetylcholinesterase collected with a cumulated dose of 9400000 Gy 提交 2008-05-09	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 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）片段：RESIDUES 22-558 链 B 22–558（537 aa）片段：RESIDUES 22-558	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CL CHLORIDE ION × 2 PGE TRIETHYLENE GLYCOL × 8	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；277 K；32% PEG200, 150MM MES, PH6, 4DEG. C., pH 5.8	分辨率 2.40 Å R-free 0.234
2VT7 Native Torpedo californica acetylcholinesterase collected with a cumulated dose of 800000 Gy 提交 2008-05-09	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 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）片段：RESIDUES 22-558 链 B 22–558（537 aa）片段：RESIDUES 22-558	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CL CHLORIDE ION × 2 PGE TRIETHYLENE GLYCOL × 8	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；277 K；32% PEG200, 150MM MES, PH6, 4DEG. C., pH 5.8	分辨率 2.20 Å R-free 0.237
2W6C ACHE IN COMPLEX WITH A BIS-(-)-NOR-MEPTAZINOL DERIVATIVE 提交 2008-12-18	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 X 1–586（586 aa）	未记录	BM4 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-3-yl]phenol × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 7.4；PROTEIN WAS CRYSTALLIZED FROM 40% PEG 200, 150 MM MES, PH 7.4, AND CRYSTALS WERE SOAKED IN 1 MM OF INHIBITOR SOLUTION	分辨率 2.69 Å R-free 0.235
2WFZ NON-AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN 提交 2009-04-15	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）片段：RESIDUES 22-558	未记录	GD8 (1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 4 PG4 TETRAETHYLENE GLYCOL × 10 PEG DI(HYDROXYETHYL)ETHER × 2 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 8.2；277 K；ACHE WAS CRYSTALLIZED IN 34% PEG200, 150 MM MES, PH 6, 4 DEG. C. THE CRYSTAL WAS SOAKED FOR 6 MIN IN 1.3 MM SOMAN AT PH 8, 4 DEG C., THEN FLASH-COOLED IN LN2.	分辨率 1.95 Å R-free 0.196
2WG0 AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN (OBTAINED BY IN CRYSTALLO AGING) 提交 2009-04-15	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）片段：RESIDUES 22-558	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CL CHLORIDE ION × 2 GB METHYLPHOSPHONIC ACID ESTER GROUP × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 PG4 TETRAETHYLENE GLYCOL × 2 PGE TRIETHYLENE GLYCOL × 8 PEG DI(HYDROXYETHYL)ETHER × 20	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；277 K；ACHE WAS CRYSTALLIZED IN 34% PEG200, 150 MM MES, PH 6, 4 DEG. C. THE CRYSTAL WAS SOAKED FOR 2 HOURS IN 1.3 MM SOMAN AT PH 6, 4 DEG C., THEN FLASH-COOLED IN LN2.	分辨率 2.20 Å R-free 0.229
2WG1 TERNARY COMPLEX OF THE AGED CONJUGATE OF TORPEDO CALIFORNICA ACEYLCHOLINESTERASE WITH SOMAN AND 2-PAM 提交 2009-04-15	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）片段：RESIDUES 22-558	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GB METHYLPHOSPHONIC ACID ESTER GROUP × 2 FP1 N-hydroxy-1-(1-methylpyridin-2(1H)-ylidene)methanamine × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 8 PG4 TETRAETHYLENE GLYCOL × 8 PGE TRIETHYLENE GLYCOL × 6 PEG DI(HYDROXYETHYL)ETHER × 10	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；277 K；ACHE WAS CRYSTALLIZED IN 34% PEG200, 150 MM MES, PH 6, 4 DEG. C. THE CRYSTAL WAS SOAKED FOR 2 HOURS IN 1.3 MM SOMAN, AT PH 6, 4 DEG C. THEN FOR 22 HOURS IN 10 MM 2-PAM, AT PH 6, 4 DEG C.. THEN FLASH-COOLED IN LN2.	分辨率 2.20 Å R-free 0.212
2WG2 NON-AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN (ALTERNATIVE REFINEMENT) 提交 2009-04-15	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）片段：RESIDUES 22-558	未记录	GD8 (1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 4 PG4 TETRAETHYLENE GLYCOL × 10 PEG DI(HYDROXYETHYL)ETHER × 2 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；277 K；ACHE WAS CRYSTALLIZED IN 34% PEG200, 150 MM MES, PH 6, 4 DEG. C. THE CRYSTAL WAS SOAKED FOR 6 MIN IN 1.3 MM SOMAN AT PH 8, 4 DEG C., THEN FLASH-COOLED IN LN2.	分辨率 1.95 Å R-free 0.196
2XI4 Torpedo californica Acetylcholinesterase in Complex with Aflatoxin B1 (Orthorhombic Space Group) 提交 2010-06-28	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）片段：RESIDUES 22-558 链 B 22–558（537 aa）片段：RESIDUES 22-558	未记录	AFT AFLATOXIN B1 × 2 CL CHLORIDE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 6 PGE TRIETHYLENE GLYCOL × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 K POTASSIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 5.8；277 K；ACHE WAS CRYSTALLIZED IN 34% PEG200, 150 MM MES, PH 6, 4 DEG. C. THE CRYSTAL WAS SOAKED FOR 15 H IN 100 MICROMOLAR AFLATOXIN B1, 10% ETOH, 36% PEG200, 150MM MES, PH 5.8, 4 DEG C.	分辨率 2.30 Å R-free 0.234
3GEL O-Methylphosphorylated Torpedo Acetylcholinesterase Obtained by Reaction with Methyl Paraoxon (AGED) 提交 2009-02-25	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 25–556（532 aa）	非标准单体：是（mmCIF未提供具体位点）	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.8；277.15 K；18% Peg 200, 0.1 M MES, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K	分辨率 2.39 Å R-free 0.240
3I6M 3D Structure of Torpedo californica acetylcholinesterase complexed with N-piperidinopropyl-galanthamine 提交 2009-07-07	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 23–556（534 aa）片段：UNP residues 23-556	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 G3X (4aS,6R,8aS)-3-methoxy-11-(3-piperidin-1-ylpropyl)-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；42% PEG200, 100mM MES pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.26 Å R-free 0.213
3I6Z 3D Structure of Torpedo californica acetylcholinesterase complexed with N-saccharinohexyl-galanthamine 提交 2009-07-07	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 23–556（534 aa）片段：UNP residues 23-556	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 G6X 2-{6-[(4aS,6R,8aS)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]hexyl}-1 ,2-benzisothiazol-3(2H)-one 1,1-dioxide × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；42% PEG200, 100mM MES pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.19 Å R-free 0.212
3M3D Crystal structure of Acetylcholinesterase in complex with Xenon 提交 2010-03-09	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）片段：UNP residues 22-564	未记录	XE XENON × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 PG4 TETRAETHYLENE GLYCOL × 2 PEG DI(HYDROXYETHYL)ETHER × 12	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；42% PEG 200, 150mM MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	分辨率 2.34 Å R-free 0.200
3ZV7 Torpedo californica Acetylcholinesterase Inhibition by Bisnorcymserine 提交 2011-07-24	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）片段：RESIDUES 22-564	未记录	1PE PENTAETHYLENE GLYCOL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 2 NHG BIS-NORESEROLINE × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CL CHLORIDE ION × 22	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.2；277 K；100 MM MES PH 6.0, 44% PEG200, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K	分辨率 2.26 Å R-free 0.247
4TVK TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A CHLOROTACRINE-JUGLONE HYBRID INHIBITOR 提交 2014-06-27	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合单体；蛋白 × 1 PDB 声明：Monomeric	链 A 23–556（534 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 TJH 2-({2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl}amino)-5-hydroxynaphthalene-1,4-dione × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；30% PEG200, 100mM MES	分辨率 2.30 Å R-free 0.225
4W63 TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-BENZOFURAN HYBRID INHIBITOR 提交 2014-08-20	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合单体；蛋白 × 1 PDB 声明：monomeric	链 A 23–556（534 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 HTB N-(1-benzofuran-2-ylmethyl)-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；30% PRG200, 100mM MES	分辨率 2.80 Å R-free 0.260
4X3C TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-NICOTINAMIDE HYBRID INHIBITOR 提交 2014-11-28	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 23–556（534 aa）片段：UNP residues 23-556	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 TNH N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]pyridine-3-carboxamide × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；30% PEG 200, 100mM MES	分辨率 2.60 Å R-free 0.280
5BWB ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA IN COMPLEX WITH THE BIS-IMIDAZOLIUM OXIME 2BIM-7 提交 2015-06-07	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）片段：UNP residues 22-558	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 4VV (Z,Z)-[heptane-1,7-diylbis(1H-imidazol-1-yl-2-ylidene)]bis(N-hydroxymethanamine) × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.7；277 K；Drop solution contained 36% PEG 200, 0.2 M MES buffer pH 5.7, 20 mM 2BIM-7. Reservoir solution contained 35% PEG 200.	分辨率 2.57 Å R-free 0.242
5BWC ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA IN COMPLEX WITH THE BIS-PYRIDINIUM OXIME ORTHO-7 提交 2015-06-07	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 HBP 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；Drop solution contained 36% PEG 200, 0.2 M MES pH 5.8, 20 mM Ortho-7. Reservoir solution contained 35% PEG 200.	分辨率 2.45 Å R-free 0.266
5DLP Acetylcholinesterase Methylene Blue no PEG 提交 2015-09-07	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 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）	未记录	MBT 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 SO4 SULFATE ION × 30	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；46% PEG200 (v/v) in 100 mM NaCl/1 mM MES, pH 6.5	分辨率 2.70 Å R-free 0.224
5E2I Acetylcholinesterase Methylene Blue no PEG 提交 2015-10-01	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 25–556（532 aa）片段：UNP residues 25-556	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 PEG DI(HYDROXYETHYL)ETHER × 4 DME DECAMETHONIUM ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；30% PEG200 (v/v) in 100 mM NaCl/1 mM MES, pH 5.6	分辨率 2.65 Å R-free 0.226
5E4J Acetylcholinesterase Methylene Blue no PEG 提交 2015-10-06	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 25–556（532 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 DME DECAMETHONIUM ION × 2 SO4 SULFATE ION × 20	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；279 K；60% AS/360 mM Na,K phosphate/100 mM Na phosphate, pH 6.5	分辨率 2.54 Å R-free 0.229
5E4T Acetylcholinesterase Methylene Blue with PEG 提交 2015-10-07	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 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）	未记录	MBT 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM × 2 PEG DI(HYDROXYETHYL)ETHER × 24 PGE TRIETHYLENE GLYCOL × 10 EDO 1,2-ETHANEDIOL × 18	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；46% PEG200 (v/v) in 100 mM NaCl/1 mM MES, pH 6.5.	分辨率 2.43 Å R-free 0.206
5EHX Crystal structure of MSF-aged Torpedo californica Acetylcholinesterase 提交 2015-10-29	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 25–556（532 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 03S methanesulfonic acid × 2 AE4 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6.2；277 K；MES 100 mM, pH 6.2 PEG 200 30%	分辨率 2.10 Å R-free 0.237
5EI5 Crystal structure of MSF-aged Torpedo californica Acetylcholinesterase in complex with alkylene-linked bis-tacrine dimer (7 carbon linker) 提交 2015-10-29	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 23–556（534 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 03S methanesulfonic acid × 2 AA7 N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLHEPTANE-1,7-DIAMINE × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；MES 100 mM, pH 6.2 PEG 200 30%	分辨率 2.10 Å R-free 0.206
5IH7 Acetylcholinesterase of Torpedo californica in complex with the N-methyl-indoxylacetate hydrolysis products 提交 2016-02-29	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 23–556（534 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 OMI 1-methyl-1,2-dihydro-3H-indol-3-one × 2 PG4 TETRAETHYLENE GLYCOL × 2 ACT ACETATE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；MES 100mM, pH 6.2, PEG200 30%	分辨率 2.40 Å R-free 0.207
5NAP Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like inhibitor 17 提交 2017-02-28	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）	未记录	DZ7 (2~{E})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277.15 K；MES 100 mM, pH 6.2 PEG 200 30%	分辨率 2.17 Å R-free 0.210
5NAU Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like compound 20 提交 2017-02-28	聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）	未记录	DZ0 (2~{E})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277.15 K；MES pH 6.2, 100 mM PEG 200, 30%	分辨率 2.25 Å R-free 0.228
5NUU Torpedo californica acetylcholinesterase in complex with a chlorotacrine-tryptophan hybrid inhibitor 提交 2017-05-02	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 × 2 PDB 声明：dimeric	链 A 22–564（543 aa）	未记录	9A5 (2~{S})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277.15 K；MES 100 mM, pH 6.2 PEG200 30%	分辨率 2.50 Å R-free 0.246
6EUC Reactivating oxime bound to Tc AChE's catalytic gorge. 提交 2017-10-30	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 25–596（572 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 RM0 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol × 2 1PE PENTAETHYLENE GLYCOL × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.4；290 K；MES 100 mM p H 5.4. PEG 200 36 %.	分辨率 2.22 Å R-free 0.220
6EUE Rivastigmine analogue bound to Tc ACHE. 提交 2017-10-30	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 × 2 PDB 声明：dimeric	链 A 24–556（533 aa）	非标准单体：是（mmCIF未提供具体位点）	1PE PENTAETHYLENE GLYCOL × 10 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.5；295 K；MES 100 mM pH 5.5 PEG 200 32%	分辨率 2.00 Å R-free 0.225
6EWK T. californica AChE in complex with a 3-hydroxy-2-pyridine aldoxime. 提交 2017-11-04	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 25–556（532 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 RM0 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol × 2 1PE PENTAETHYLENE GLYCOL × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.4；299 K；Polyethylen glycol 200 36 % MES 100 mM pH 5.4	分辨率 2.22 Å R-free 0.220
6EZG Torpedo californica AChE in complex with indolic multi-target directed ligand 提交 2017-11-15	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 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）链 B 22–558（537 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 C6K 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one × 2 PEG DI(HYDROXYETHYL)ETHER × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.8；277 K；36% PEG 200 150mM MES pH 5.8	分辨率 2.20 Å R-free 0.237
6EZH Torpedo californica AChE in complex with indolic multi-target directed ligand 提交 2017-11-15	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 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）链 B 22–558（537 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 C6H 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；36% PEG 200 150mM MES pH 5.6	分辨率 2.60 Å R-free 0.273
6FLD Carbamylated T. californica acetylcholineterase bound to uncharged hybrid reactivator 1 提交 2018-01-25	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 25–556（532 aa）	非标准单体：是（mmCIF未提供具体位点）	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 DQ5 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol × 2 1PG 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL × 2 CL CHLORIDE ION × 10 EDO 1,2-ETHANEDIOL × 6	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 5.4；293 K；PEG 200 30 %, MES 100 mM pH 5.4.	分辨率 2.40 Å R-free 0.210
6FQN Carbamylated T. californica acetylcholineterase bound to uncharged hybrid reactivator 2 提交 2018-02-14	构建体不同突变/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 × 2 PDB 声明：dimeric	链 A 25–556（532 aa）	非标准单体：是（mmCIF未提供具体位点）	E2W 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 EDO 1,2-ETHANEDIOL × 4 CL CHLORIDE ION × 12 P6G HEXAETHYLENE GLYCOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；298 K；MES 100 mM pH 5.4 PEG 200 28%	分辨率 2.30 Å R-free 0.234
6G17 Non-aged form of Torpedo californica acetylcholinesterase inhibited by nerve agent tabun 提交 2018-03-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	未记录	NTJ R-ETHYL N,N-DIMETHYLPHOSPHONAMIDATE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 EDO 1,2-ETHANEDIOL × 6 PGE TRIETHYLENE GLYCOL × 2 PEG DI(HYDROXYETHYL)ETHER × 10	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；150mM MES pH 5.6 36% PEG200	分辨率 2.20 Å R-free 0.214
6G1U Crystal structure of Torpedo Californica acetylcholinesterase in complex with 9-Amino-6-chloro-1,2,3,4-tetrahydro-10-methylacridin-10-ium 提交 2018-03-22	构建体不同突变/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 × 2 PDB 声明：dimeric	链 A 22–586（565 aa）链 B 22–586（565 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 7 PEG DI(HYDROXYETHYL)ETHER × 7 E1K 6-chloranyl-10-methyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine × 8 CL CHLORIDE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；30% PEG 200/50 mM MES pH 6.0	分辨率 1.79 Å R-free 0.213
6G1V Crystal structure of Torpedo Californica acetylcholinesterase in complex with 12-Amino-3-chloro-6,7,10,11-tetrahydro-5,9-dimethyl-7,11-methanocycloocta[b]quinolin-5-ium 提交 2018-03-22	构建体不同突变/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 × 2 PDB 声明：dimeric	链 A 22–586（565 aa）链 B 22–586（565 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 E1N 12-Amino-3-chloro-6,7,10,11-tetrahydro-5,9-dimethyl-7,11-methanocycloocta[b]quinolin-5-ium × 2 CL CHLORIDE ION × 4 PEG DI(HYDROXYETHYL)ETHER × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；30% PEG 200/50 mM MES pH 6.0	分辨率 1.82 Å R-free 0.217
6G1W Crystal structure of Torpedo Californica acetylcholinesterase in complex with 2-{1-[2-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1H-1,2,3-triazol-4-yl}-N-[4-(hydroxy)-3-methoxybenzyl]acetamide 提交 2018-03-22	构建体不同突变/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 × 2 PDB 声明：dimeric	链 A 22–586（565 aa）链 B 22–586（565 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 E0Z 2-[1-[2-[(3-chloranylacridin-9-yl)amino]ethyl]-1,2,3-triazol-4-yl]-~{N}-[(3-methoxy-4-oxidanyl-phenyl)methyl]ethanamide × 2 CL CHLORIDE ION × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；30% PEG 200/50 mM MES pH 6.0	分辨率 1.90 Å R-free 0.218
6G4M Torpedo californica acetylcholinesterase bound to uncharged hybrid reactivator 1 提交 2018-03-28	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）链 B 22–558（537 aa）	未记录	DQ5 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；150mM MES 36% PEG 200	分辨率 2.63 Å R-free 0.265
6G4N Torpedo californica acetylcholinesterase bound to uncharged hybrid reactivator 2 提交 2018-03-28	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）链 B 22–558（537 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 E2W 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol × 2 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.8；277 K；150 mM MES 36% PEG 200	分辨率 2.90 Å R-free 0.271
6G4O Non-aged form of Torpedo californica acetylcholinesterase inhibited by tabun analog NEDPA bound to uncharged reactivator 1 提交 2018-03-28	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）链 B 22–558（537 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 ELT ethoxy-~{N},~{N}-dimethyl-phosphonamidic acid × 2 DQ5 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol × 1 CL CHLORIDE ION × 8 PG4 TETRAETHYLENE GLYCOL × 1 NA SODIUM ION × 1 P6G HEXAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；150mM MES 36% PEG 200	分辨率 2.78 Å R-free 0.264
6G4P Non-aged form of Torpedo californica acetylcholinesterase inhibited by tabun analog NEDPA bound to uncharged reactivator 2 提交 2018-03-28	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）链 B 22–558（537 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 ELT ethoxy-~{N},~{N}-dimethyl-phosphonamidic acid × 2 JDS 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(~{Z})-hydroxyiminomethyl]pyridin-3-ol × 2 CL CHLORIDE ION × 8 PG4 TETRAETHYLENE GLYCOL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；150mM MES 36% PEG 200	分辨率 2.83 Å R-free 0.277
6H12 Crystal structure of TcACHE complexed to 1-(6-Oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)-3-(4-(((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)pyridin-2-yl)urea 提交 2018-07-10	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 × 2 PDB 声明：dimeric	链 A 22–586（565 aa）链 B 22–586（565 aa）	未记录	MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 4 GOL GLYCEROL × 3 PGE TRIETHYLENE GLYCOL × 2 EDO 1,2-ETHANEDIOL × 13 SO4 SULFATE ION × 3 PEG DI(HYDROXYETHYL)ETHER × 8 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 CL CHLORIDE ION × 6 FJK 1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{R})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]urea × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；30% PEG 200/50 mM MES pH 6.0	分辨率 2.20 Å R-free 0.212
6H13 Crystal structure of TcACHE complexed to1-(4-((Methyl((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methyl)amino)methyl)pyridin-2-yl)-3-(6-oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)urea 提交 2018-07-10	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 × 2 PDB 声明：dimeric	链 A 22–586（565 aa）链 B 22–586（565 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 FJN [1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methyl-[[2-[[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]carbamoylamino]pyridin-4-yl]methyl]-methyl-azanium × 2 CL CHLORIDE ION × 13 PEG DI(HYDROXYETHYL)ETHER × 2 GOL GLYCEROL × 3 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；50 mM MES pH 6.0, 30% PEG 200	分辨率 2.80 Å R-free 0.234
6H14 Crystal structure of TcACHE complexed to 1-(6-oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)-3-(4-(1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)pyridin-2-yl)urea 提交 2018-07-10	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–586（565 aa）链 B 22–586（565 aa）	未记录	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 EDO 1,2-ETHANEDIOL × 8 PEG DI(HYDROXYETHYL)ETHER × 1 GOL GLYCEROL × 2 FW8 1-[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea × 2 PGE TRIETHYLENE GLYCOL × 2 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；50 mM Mes pH 6.0, 30% PEG 2000	分辨率 1.86 Å R-free 0.211
6TT0 Crystal structure of a potent and reversible dual binding site Acetylcholinesterase chiral inhibitor 提交 2019-12-22	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 25–596（572 aa）	未记录	N9T (1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；32% PEG 200 100 mM MES pH 5.5	分辨率 2.80 Å R-free 0.235
7AIS Crystal structure of Torpedo Californica acetylcholinesterase in complex with 6-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)hexanamide 提交 2020-09-28	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–586（586 aa）链 B 1–586（586 aa）	未记录	8UH 6-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)hexanamide × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 PEG DI(HYDROXYETHYL)ETHER × 3 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；28% PEG 200 50 mM MES	分辨率 1.75 Å R-free 0.208
7AIT Crystal structure of Torpedo Californica acetylcholinesterase in complex with 7-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)heptanamide 提交 2020-09-28	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–586（586 aa）链 B 1–586（586 aa）	未记录	8UK 7-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)heptanamide × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；28-32% PEG 200 50mM MES	分辨率 2.10 Å R-free 0.227
7AIU Crystal structure of Torpedo Californica acetylcholinesterase in complex with 8-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)octanamide 提交 2020-09-28	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–586（586 aa）链 B 1–586（586 aa）	未记录	PEG DI(HYDROXYETHYL)ETHER × 9 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 8UQ 8-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)octanamide × 2 CL CHLORIDE ION × 3	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；28-32% PEG 200 50 mM MES	分辨率 2.00 Å R-free 0.246
7AIV Crystal structure of Torpedo Californica acetylcholinesterase in complex with 4-{[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]methyl}-N-(4-hydroxy-3-methoxybenzyl)benzamide 提交 2020-09-28	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–586（586 aa）链 B 1–586（586 aa）	未记录	8UE 4-{[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]methyl}-N-(4-hydroxy-3-methoxybenzyl)benzamide × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；50 mM MES 28-32% PEG 200	分辨率 2.55 Å R-free 0.262
7AIW Crystal structure of Torpedo Californica acetylcholinesterase in complex with (E)-10-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)-6-decenamide 提交 2020-09-28	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–586（586 aa）链 B 1–586（586 aa）	未记录	8U5 E)-10-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)-6-decenamide × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 CL CHLORIDE ION × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；50 mM MES 28-32% PEG 200	分辨率 1.90 Å R-free 0.224
7AIX Crystal structure of Torpedo Californica acetylcholinesterase in complex with 2-{1-[4-(12-Amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl)butyl]-1H-1,2,3-triazol-4-yl}-N-[4-hydroxy-3-methoxybenzyl]acetamide 提交 2020-09-28	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–586（586 aa）	未记录	8U2 2-{1-[4-(12-Amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl)butyl]-1H-1,2,3-triazol-4-yl}-N-[4-hydroxy-3-methoxybenzyl]acetamide × 2 PEG DI(HYDROXYETHYL)ETHER × 4 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；277 K；50 mM MES 28-32% PEG 200	分辨率 1.86 Å R-free 0.197
7B2W Torpedo californica acetylcholinesterase complexed with UO2 提交 2020-11-28	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 22–558（537 aa）	未记录	IUM URANYL (VI) ION × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；292 K；The use of standard vapor diffusion techniques in hanging drop with 61 percent saturated ammonium sulfate, 360 nM Na,K-phosphate buffer pH 7.0, as the precipating agent and a protein concentration of ~11 mg/ml together with UO2(NO3)2.	分辨率 2.65 Å R-free 0.212
7B38 Torpedo californica acetylcholinesterase complexed with Mg+2 提交 2020-11-29	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 25–556（532 aa）	未记录	MG MAGNESIUM ION × 8 ZN ZINC ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 PGE TRIETHYLENE GLYCOL × 2 GOL GLYCEROL × 6 EDO 1,2-ETHANEDIOL × 14 PEG DI(HYDROXYETHYL)ETHER × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；Mixing 2 uL of protein (10-13 mg/mL in 0.1 M NaCl/0.1 M 2-morpholinoethanesulfonic acid (MES)/0.02% sodium azide, pH 5.8) with 2 uL of precipitant solution (0.2 M magnesium acetate/10-15% (v/v) polyethylene glycol (PEG) 5000 monomethyl ether, 0.1 M MES, pH 6.5), thus yielding crystals of the Mg+2/TcAChE complex	分辨率 1.85 Å R-free 0.241
7B8E Torpedo californica acetylcholinesterase complexed with Ca+2 提交 2020-12-12	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimer	链 A 22–558（537 aa）	未记录	EDO 1,2-ETHANEDIOL × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 FWN 2-[2-(2-ethoxyethoxy)ethoxy]ethanol × 2 CA CALCIUM ION × 2 ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；By mixing 2 uL of protein (10-13 mg/mL in 0.1 M NaCl/0.1 M 2-morpholinoethanesulfonic acid (MES)/0.02% sodium azide, pH 5.8) with 2 uL of precipitant solution (0.2 M calcium acetate/10-15% (v/v) polyethylene glycol (PEG) 5000 monomethyl ether, 0.1 M MES, pH 6.5), thus yielding crystals of the Ca+2/TcAChE complex.	分辨率 2.23 Å R-free 0.226
9SCM Crystal structure of Tc AChE with reactivator JDS364 Orthorhombic 提交 2025-08-11	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 其他组合同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 B 25–556（532 aa）链 D0Z0 25–556（532 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.40 Å R-free 0.229
9SCN Crystal structure of Tc AChE with reactivator JDS364 Monoclinic 提交 2025-08-11	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 × 2 PDB 声明：dimeric	链 A 25–556（532 aa）链 B 25–556（532 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.40 Å R-free 0.236
9SCN Crystal structure of Tc AChE with reactivator JDS364 Monoclinic 提交 2025-08-11	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 × 2 PDB 声明：dimeric	链 C 25–556（532 aa）链 D 25–556（532 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.40 Å R-free 0.236

共 124 个其他 PDB 条目、125 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	ACES_TORCA
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–543； UniProt 22–564

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	1odc
沉积日期 deposition_date	2003-02-15
结构标题 title	STRUCTURE OF ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH N-4'-QUINOLYL-N'-9"-(1",2",3",4"-TETRAHYDROACRIDINYL)-1,8- DIAMINOOCTANE AT 2.2A RESOLUTION
关键词 keywords	;HYDROLASE, SERINE HYDROLASE, NEUROTRANSMITTER CLEAVAGE, ALZHEIMER'S DISEASE, BIVALENT LIGAND, DUAL-SITE BINDING, INHIBITOR, SERINE ESTERASE SYNAPSE, NERVE, MUSCLE, GPI-ANCHOR NEUROTRANSMITTER DEGRADATION, GLYCOPROTEIN ;; HYDROLASE
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	23.83 Å
回转半径 Rg (电子) rg_electron	22.48 Å
零角强度 I(0) i0	57242600.00
分子量 molecular_weight	60004.0 kDa
排除体积 excluded_volume	75321 Å³
包络体积 envelope_volume	84949 Å³
水化壳体积 shell_volume	30212 Å³
包络直径 envelope_diameter	79.3 Å
壳层 Rg shell_rg	30.77 Å
包络 Rg envelope_rg	22.83 Å
形状 Rg shape_rg	22.43 Å
总 Rg total_rg	23.54 Å
总原子数 total_atoms	4240
残基数 n_residues	529
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	75.0 Å
Rg (实空间) rg_real	23.67 Å
Rg 误差 (实空间) rg_real_error	0.42 Å
I(0) (实空间) i0_real	5.7240e+07
I(0) 误差 (实空间) i0_real_error	7.7070e+05
Rg (倒空间) rg_reciprocal	23.71 Å
I(0) (倒空间) i0_reciprocal	57240000.0000
解质量估计 total_estimate	0.8058
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	3
主峰位置 r_peak_primary	30.5 Å
偏度 Skewness skewness	0.148
峰度 Kurtosis kurtosis	-0.410
角度范围 angular_range	— – 0.3350 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	16990000.0000
实空间数据点数 n_real_points	65
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.841; Stabil: 0.986; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.000

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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 (4)

实体 1 Entity 1 polymer

描述 description	ACETYLCHOLINESTERASE
分子量 formula_weight	61325.1 kDa
EC 编号 ec_number	3.1.1.7
来源方法 src_method	nat
拷贝数 entity_count	1

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	4393

DDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNVICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNATACDGELSS

实体 2 Entity 2 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	2

实体 3 Entity 3 non-polymer

描述 description	N-QUINOLIN-4-YL-N'-(1,2,3,4-TETRAHYDROACRIDIN-9-YL)OCTANE-1,8-DIAMINE
分子量 formula_weight	452.6 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 4 Entity 4 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	153

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7. 折叠分类 (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

结构域编号 domain_id	d1odca_
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.69 — alpha/beta-Hydrolases
超家族 Superfamily superfamily	c.69.1 — alpha/beta-Hydrolases
家族 Family family	c.69.1.1 — Acetylcholinesterase-like

CATH v4.4 (1 domains)

结构域编号 domain_id	1odcA00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	40 — 3-Layer(aba) Sandwich
拓扑 Topology topology	50 — Rossmann fold
同源超家族 H-superfamily homologous superfamily	1820 — Alpha/Beta hydrolase fold, catalytic domain

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8. 引用文献 (6)

;Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge. ;

J.Med.Chem. (2006)

PMID: 16942022 · DOI: 10.1021/JM060164B PRIMARY

;Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity ;

J.Am.Chem.Soc. (2003)

PMID: 12517147 · DOI: 10.1021/JA021111W

Heterodimeric Tacrine-Based Acetylcholinesterase Inhibitors: Investigating Ligand-Peripheral Site Interactions

J.Med.Chem. (1999)

PMID: 10514292 · DOI: 10.1021/JM990224W

Prediction of the Binding Sites of Huperzine a in Acetylcholinesterase by Docking Studies

J. Comput. Aided Mol. Des. (1994)

PMID: 7738603 · DOI: 10.1007/BF00124014

Quaternary Ligand Binding to Aromatic Residues in the Active-Site Gorge of Acetylcholinesterase

Proc.Natl.Acad.Sci.USA (1993)

PMID: 8415649 · DOI: 10.1073/PNAS.90.19.9031

Atomic Structure of Acetylcholinesterase from Torpedo Californica: A Prototypic Acetylcholine-Binding Protein

Science (1991)

PMID: 1678899 · DOI: 10.1126/SCIENCE.1678899

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晶胞边长 a length_a	111.487 Å
晶胞边长 b length_b	111.487 Å
晶胞边长 c length_c	136.744 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.00 °
晶胞夹角 γ angle_gamma	120.00 °
晶胞分子数 Z z_pdb	6

空间群 space_group	P 31 2 1
空间群编号 int_tables_number	152
晶系 crystal_system	—

分辨率 resolution	2.200 Å
最低分辨率 resolution_low	29.120 Å
R 因子 r_factor	0.1991
R_work r_work	0.1991
R_free r_free	0.2401

fit	/app/data/saxs_computation/od/1odc/1odc.fit
pddf	/app/data/pr_computation/od/1odc/1odc.pr.out
profile	/app/data/saxs_computation/od/1odc/1odc.dat