ACETYLCHOLINESTERASE
OrganismNot specified
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain A； UniProt 22–564 | Fragment：RESIDUES 22-464 | 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 provides none of the parsed experimental conditions | Resolution 2.71 Å R-free 0.234 |
Other States of the Same Protein in the Database
Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.
| Other PDB | Difference from Current Entry 2VQ6 | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1ACJ QUATERNARY LIGAND BINDING TO AROMATIC RESIDUES IN THE ACTIVE-SITE GORGE OF ACETYLCHOLINESTERASE Deposited 1993-08-18 | Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–556（535 aa）
|
Not recorded | THA TACRINE × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.80 Å |
| 1ACL QUATERNARY LIGAND BINDING TO AROMATIC RESIDUES IN THE ACTIVE-SITE GORGE OF ACETYLCHOLINESTERASE Deposited 1993-08-18 | Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–556（535 aa）
|
Not recorded | DME DECAMETHONIUM ION × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.80 Å |
| 1AMN TRANSITION STATE ANALOG: ACETYLCHOLINESTERASE COMPLEXED WITH M-(N,N,N-TRIMETHYLAMMONIO)TRIFLUOROACETOPHENONE Deposited 1996-02-13 | Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Not recorded | SO4 SULFATE ION × 2 NAF M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.80 Å R-free 0.235 |
| 1AX9 ACETYLCHOLINESTERASE COMPLEXED WITH EDROPHONIUM, LAUE DATA Deposited 1997-11-03 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Not recorded | EDR EDROPHONIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；277 K；PROTEIN WAS CRYSTALLISED FROM 40 % PEG200, 100 MM MES, PH 5.8 AT 4 DEGREES C, temperature 277K
|
Resolution 2.80 Å R-free 0.268 |
| 1CFJ METHYLPHOSPHONYLATED ACETYLCHOLINESTERASE (AGED) OBTAINED BY REACTION WITH O-ISOPROPYLMETHYLPHOSPHONOFLUORIDATE (GB, SARIN) Deposited 1999-03-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
22–558（537 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GB METHYLPHOSPHONIC ACID ESTER GROUP × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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
|
Resolution 2.60 Å R-free 0.247 |
| 1DX6 STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH (-)-GALANTHAMINE AT 2.3A RESOLUTION Deposited 1999-12-21 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
|
Not recorded | PG4 TETRAETHYLENE GLYCOL × 2 GNT (-)-GALANTHAMINE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；277 K；PROTEIN WAS CRYSTALLISED FROM 35-40% W/V PEG 200, 0.1M MES PH 5.8, 4 DEG. CELSIUS
|
Resolution 2.30 Å R-free 0.235 |
| 1E3Q TORPEDO CALIFORNICA ACETYLCHOLINESTERASE COMPLEXED WITH BW284C51 Deposited 2000-06-21 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
|
Not recorded | 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 crystallization conditions
pH 5.8；pH 5.80
|
Resolution 2.85 Å R-free 0.234 |
| 1E66 STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH (-)-HUPRINE X AT 2.1A RESOLUTION Deposited 2000-08-08 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
|
Not recorded | 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 crystallization conditions
pH 5.6；277 K；PROTEIN WAS CRYSTALLISED FROM 35-40% W/V PEG 200 0.3M MES PH 5.6 4 DEG. CELSIUS
|
Resolution 2.10 Å R-free 0.205 |
| 1EA5 NATIVE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA at 1.8A resolution Deposited 2000-11-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；277 K；PROTEIN WAS CRYSTALLIZED FROM 35% PEG 200, 100 MM MES, PH 5.8, AT 4 DEG.
|
Resolution 1.80 Å R-free 0.205 |
| 1EEA Acetylcholinesterase Deposited 1999-01-26 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–555（534 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8；pH 8.0
|
Resolution 4.50 Å |
| 1EVE THREE DIMENSIONAL STRUCTURE OF THE ANTI-ALZHEIMER DRUG, E2020 (ARICEPT), COMPLEXED WITH ITS TARGET ACETYLCHOLINESTERASE Deposited 1998-03-04 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
22–564（543 aa）
|
Not recorded | 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 crystallization conditions
pH 5.8；pH 5.8
|
Resolution 2.50 Å R-free 0.228 |
| 1FSS ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH FASCICULIN-II Deposited 1995-10-25 | Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
22–558（537 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ZN ZINC ION × 4 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 3.00 Å R-free 0.310 |
| 1GPK Structure of Acetylcholinesterase Complex with (+)-Huperzine A at 2.1A Resolution Deposited 2001-11-05 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
Fragment：RESIDUES 22-558
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 HUP Huperzine A × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；pH 5.80
|
Resolution 2.10 Å R-free 0.213 |
| 1GPN STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH HUPERZINE B AT 2.35A RESOLUTION Deposited 2001-11-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
22–558（537 aa）
Fragment：RESIDUES 22-558
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 HUB HUPERZINE B × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.6；pH 5.60
|
Resolution 2.35 Å R-free 0.216 |
| 1GQR ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH RIVASTIGMINE Deposited 2001-12-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
25–556（532 aa）
Fragment：RESIDUES 25-556
|
Not recorded | 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 crystallization conditions
pH 5.8；pH 5.80
|
Resolution 2.20 Å R-free 0.236 |
| 1GQS ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH NAP Deposited 2001-12-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
25–556（532 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 SAF 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；pH 5.80
|
Resolution 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 Deposited 2002-07-30 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
|
Not recorded | 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 crystallization conditions
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.
|
Resolution 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 Deposited 2002-07-30 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 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 Deposited 2001-04-16 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
Fragment：GPI-ANCHOR REMOVED, RESIDUES 22-564
|
Not recorded | 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 crystallization conditions
pH 5.8；277 K；PROTEIN WAS CRYSTALLISED FROM 35-40% W/V PEG 200 0.1M MES PH 5.8 4 DEG. CELSIUS
|
Resolution 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 Deposited 2001-07-04 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
25–556（532 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 PE7 1-DEOXY-1-THIO-HEPTAETHYLENE GLYCOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.8；298 K；34% PEG 200, 0.05M MES, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.30 Å R-free 0.224 |
| 1OCE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH MF268 Deposited 1998-06-12 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Not recorded | MF2 CIS-2,6-DIMETHYLMORPHOLINOOCTYLCARBAMYLESEROLINE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；pH 6.0
|
Resolution 2.70 Å R-free 0.291 |
| 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 Deposited 2003-02-15 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
|
Not recorded | 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 crystallization conditions
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.
|
Resolution 2.20 Å R-free 0.240 |
| 1QID SPECIFIC CHEMICAL AND STRUCTURAL DAMAGE AT NINE TIME POINTS (POINT A) CAUSED BY INTENSE SYNCHROTRON RADIATION TO TORPEDO CALIFORNICA ACETYLCHOLINESTERASE Deposited 1999-06-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；277 K；30% PEG 200, 0.3 M MES, pH 5.8, temperature 277K
|
Resolution 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 Deposited 1999-06-14 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；292 K；30% PEG 200, 0.3 M MES, pH 5.8, temperature 292K
|
Resolution 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 Deposited 1999-06-14 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；292 K；30% PEG 200, 0.3 M MES, pH 5.8, temperature 292K
|
Resolution 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 Deposited 1999-06-14 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；292 K；30% PEG 200, 0.3 M MES, pH 5.8, temperature 292K
|
Resolution 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 Deposited 1999-06-14 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；30% PEG 200, 0.3 M MES, pH 5.80
|
Resolution 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 Deposited 1999-06-14 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；292 K；30% PEG 200, 0.3 M MES, pH 5.8, temperature 292K
|
Resolution 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 Deposited 1999-06-14 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；292 K；30% PEG 200, 0.3 M MES, pH 5.8, temperature 292K
|
Resolution 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 Deposited 1999-06-14 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；292 K；30% PEG 200, 0.3 M MES, pH 5.8, temperature 292K
|
Resolution 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 Deposited 1999-06-14 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；292 K；30% PEG 200, 0.3 M MES, pH 5.8, temperature 292K
|
Resolution 3.00 Å R-free 0.216 |
| 1QTI Acetylcholinesterase (E.C.3.1.1.7) Deposited 1999-06-28 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–537（537 aa）
|
Not recorded | GNT (-)-GALANTHAMINE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；40% PEG 200, 100MM MES (pH 6.0), VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.50 Å R-free 0.236 |
| 1SOM TORPEDO CALIFORNICA ACETYLCHOLINESTERASE INHIBITED BY NERVE AGENT GD (SOMAN). Deposited 1999-03-17 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 UNX UNKNOWN LIGAND × 20 VXA METHYLPHOSPHONIC ACID ESTER GROUP × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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
|
Resolution 2.20 Å R-free 0.251 |
| 1U65 Ache W. CPT-11 Deposited 2004-07-29 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
|
Not recorded | 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 crystallization conditions
pH 7.5；pH 7.5
|
Resolution 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. Deposited 2003-12-04 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Not recorded | 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 crystallization conditions
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)
|
Resolution 2.40 Å R-free 0.240 |
| 1VOT ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH HUPERZINE A Deposited 1996-06-23 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Not recorded | HUP Huperzine A × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；pH 5.8
|
Resolution 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) Deposited 1999-04-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
22–558（537 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 VXA METHYLPHOSPHONIC ACID ESTER GROUP × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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
|
Resolution 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) Deposited 1999-04-21 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 2.20 Å R-free 0.230 |
| 1W4L Complex of TcAChE with bis-acting galanthamine derivative Deposited 2004-07-25 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 GL8 GALANTHAMINE DERIVATIVE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.5；277 K；PROTEIN WAS CRYSTALLISED FROM 35-40% W/V PEG 200 0.1M MES PH 5.8 4 DEG. CELSIUS
|
Resolution 2.16 Å R-free 0.218 |
| 1W6R Complex of TcAChE with galanthamine derivative Deposited 2004-08-23 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
Fragment：RESIDUES 22-564
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 GNT (-)-GALANTHAMINE × 2 MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；277 K；35-40% W/V PEG 200, 0.1M MES PH 5.8, 4DEG. C
|
Resolution 2.05 Å R-free 0.232 |
| 1W75 Native Orthorhombic form of Torpedo californica acetylcholinesterase (AChE) Deposited 2004-08-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
Fragment：RESIDUES 22-564
Chain B
22–564（543 aa）
Fragment：RESIDUES 22-564
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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
|
Resolution 2.40 Å R-free 0.247 |
| 1W76 Orthorhombic form of Torpedo californica acetylcholinesterase (AChE) complexed with bis-acting galanthamine derivative Deposited 2004-08-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
Fragment：RESIDUES 22-564
Chain B
22–564（543 aa）
Fragment：RESIDUES 22-564
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 GNT (-)-GALANTHAMINE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
277 K；35-40% W/V PEG 200, 0.1M MES PH5.8 4 DEG. CELSIUS
|
Resolution 2.30 Å R-free 0.283 |
| 1ZGB Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (R)-Tacrine(10)-Hupyridone Inhibitor. Deposited 2005-04-21 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
|
Not recorded | 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 crystallization conditions
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.
|
Resolution 2.30 Å R-free 0.230 |
| 1ZGC Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (RS)-Tacrine(10)-Hupyridone Inhibitor. Deposited 2005-04-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
Chain B
22–564（543 aa）
|
Not recorded | 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 crystallization conditions
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.
|
Resolution 2.10 Å R-free 0.247 |
| 2ACE NATIVE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA Deposited 1996-06-23 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Not recorded | ACH ACETYLCHOLINE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；277 K；PROTEIN WAS CRYSTALLIZED FROM 35% PEG 200, 100 MM MES, PH 5.8, AT 4 DEG., temperature 277K
|
Resolution 2.50 Å R-free 0.258 |
| 2ACK ACETYLCHOLINESTERASE COMPLEXED WITH EDROPHONIUM, MONOCHROMATIC DATA Deposited 1997-10-29 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Not recorded | EDR EDROPHONIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；277 K；PROTEIN WAS CRYSTALLISED FROM 40 % PEG200, 100 MM MES, PH 5.8 AT 4 DEGREES C., temperature 277K
|
Resolution 2.40 Å R-free 0.257 |
| 2BAG 3D Structure of Torpedo californica acetylcholinesterase complexed with Ganstigmine Deposited 2005-10-14 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；40% PEG200, 100mM MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.40 Å R-free 0.236 |
| 2C4H Torpedo californica acetylcholinesterase in complex with 500mM acetylthiocholine Deposited 2005-10-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
22–558（537 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 2.15 Å R-free 0.209 |
| 2C58 Torpedo californica acetylcholinesterase in complex with 20mM acetylthiocholine Deposited 2005-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 crystallization conditions
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
|
Resolution 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 Deposited 2005-10-27 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Not recorded | 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 crystallization conditions
pH 6；277 K；32% PEG200, 150MM MES, PH6, 4 DEG. C, pH 6.00
|
Resolution 2.60 Å R-free 0.220 |
| 2C5G Torpedo californica acetylcholinesterase in complex with 20mM thiocholine Deposited 2005-10-27 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Not recorded | 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 crystallization conditions
pH 6；277 K；32% PEG200, 150MM MES, PH6, 4 DEG. C, pH 6.00
|
Resolution 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 Deposited 2006-02-08 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–556（535 aa）
|
Not recorded | 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 crystallization conditions
pH 6；277 K；32% PEG200, 150MM MES, PH6.0, 4DEG. C. 12 HOURS OF SOAKING WITH A PUTATIVE ANTI-ALZHEIMER DRUG.
|
Resolution 2.20 Å R-free 0.206 |
| 2CKM Torpedo californica acetylcholinesterase complexed with alkylene- linked bis-tacrine dimer (7 carbon linker) Deposited 2006-04-20 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
|
Not recorded | 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 crystallization conditions
pH 5.8；277 K；28-33% V/V PEG 200, 0.5M MES PH5.8, 4DEG CELSIUS, SEEDING, pH 5.80
|
Resolution 2.15 Å R-free 0.249 |
| 2CMF Torpedo californica acetylcholinesterase complexed with alkylene- linked bis-tacrine dimer (5 carbon linker) Deposited 2006-05-08 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
|
Not recorded | 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 crystallization conditions
pH 5.8；277 K；28-33% V/V PEG 200, 0.5MM MES PH5.8, 4DEG C, SEEDING, pH 5.80
|
Resolution 2.50 Å R-free 0.257 |
| 2DFP X-RAY STRUCTURE OF AGED DI-ISOPROPYL-PHOSPHORO-FLUORIDATE (DFP) BOUND TO ACETYLCHOLINESTERASE Deposited 1998-12-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–556（534 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；277 K；pH 5.8, temperature 277K
|
Resolution 2.30 Å R-free 0.228 |
| 2J3D Native monoclinic form of Torpedo acetylcholinesterase Deposited 2006-08-20 | Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
Fragment：RESIDUES 22-564
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 MG MAGNESIUM ION × 10 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.60 Å R-free 0.261 |
| 2J3Q Torpedo acetylcholinesterase complexed with fluorophore thioflavin T Deposited 2006-08-23 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
22–564（543 aa）
Fragment：RESIDUES 22-564
|
Not recorded | 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 provides none of the parsed conditions | Resolution 2.80 Å R-free 0.257 |
| 2J4F Torpedo acetylcholinesterase - Hg heavy-atom derivative Deposited 2006-08-30 | Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
Fragment：RESIDUES 22-564
|
Not recorded | HG MERCURY (II) ION × 4 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 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 Deposited 2007-08-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
Chain B
22–558（537 aa）
|
Not recorded | CFQ 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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
|
Resolution 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 Deposited 2007-08-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
Chain B
22–558（537 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 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 Deposited 2007-08-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
Chain B
22–558（537 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 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 Deposited 2007-08-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
Fragment：RESIDUES 22-558
Chain B
22–558（537 aa）
Fragment：RESIDUES 22-558
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；277 K；32% PEG200, 150MM MES, PH6, 4 DEG. C., pH 6.0
|
Resolution 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 Deposited 2007-12-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
Fragment：RESIDUES 22-558
Chain B
22–558（537 aa）
Fragment：RESIDUES 22-558
|
Not recorded | 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 crystallization conditions
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
|
Resolution 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 Deposited 2007-12-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
Fragment：RESIDUES 22-558
Chain B
22–558（537 aa）
Fragment：RESIDUES 22-558
|
Not recorded | 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 crystallization conditions
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
|
Resolution 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 Deposited 2007-12-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
Fragment：RESIDUES 22-558
Chain B
22–558（537 aa）
Fragment：RESIDUES 22-558
|
Not recorded | 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 crystallization conditions
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
|
Resolution 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 Deposited 2007-12-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
Fragment：RESIDUES 22-558
Chain B
22–558（537 aa）
Fragment：RESIDUES 22-558
|
Not recorded | 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 crystallization conditions
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
|
Resolution 2.30 Å R-free 0.250 |
| 2VT6 Native Torpedo californica acetylcholinesterase collected with a cumulated dose of 9400000 Gy Deposited 2008-05-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
Fragment：RESIDUES 22-558
Chain B
22–558（537 aa）
Fragment：RESIDUES 22-558
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CL CHLORIDE ION × 2 PGE TRIETHYLENE GLYCOL × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；277 K；32% PEG200, 150MM MES, PH6, 4DEG. C., pH 5.8
|
Resolution 2.40 Å R-free 0.234 |
| 2VT7 Native Torpedo californica acetylcholinesterase collected with a cumulated dose of 800000 Gy Deposited 2008-05-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
Fragment：RESIDUES 22-558
Chain B
22–558（537 aa）
Fragment：RESIDUES 22-558
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 CL CHLORIDE ION × 2 PGE TRIETHYLENE GLYCOL × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；277 K；32% PEG200, 150MM MES, PH6, 4DEG. C., pH 5.8
|
Resolution 2.20 Å R-free 0.237 |
| 2W6C ACHE IN COMPLEX WITH A BIS-(-)-NOR-MEPTAZINOL DERIVATIVE Deposited 2008-12-18 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain X
1–586（586 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 2.69 Å R-free 0.235 |
| 2WFZ NON-AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN Deposited 2009-04-15 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
Fragment：RESIDUES 22-558
|
Not recorded | 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 crystallization conditions
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.
|
Resolution 1.95 Å R-free 0.196 |
| 2WG0 AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN (OBTAINED BY IN CRYSTALLO AGING) Deposited 2009-04-15 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
Fragment：RESIDUES 22-558
|
Not recorded | 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 crystallization conditions
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.
|
Resolution 2.20 Å R-free 0.229 |
| 2WG1 TERNARY COMPLEX OF THE AGED CONJUGATE OF TORPEDO CALIFORNICA ACEYLCHOLINESTERASE WITH SOMAN AND 2-PAM Deposited 2009-04-15 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
Fragment：RESIDUES 22-558
|
Not recorded | 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 crystallization conditions
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.
|
Resolution 2.20 Å R-free 0.212 |
| 2WG2 NON-AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN (ALTERNATIVE REFINEMENT) Deposited 2009-04-15 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
Fragment：RESIDUES 22-558
|
Not recorded | 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 crystallization conditions
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.
|
Resolution 1.95 Å R-free 0.196 |
| 2XI4 Torpedo californica Acetylcholinesterase in Complex with Aflatoxin B1 (Orthorhombic Space Group) Deposited 2010-06-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
Fragment：RESIDUES 22-558
Chain B
22–558（537 aa）
Fragment：RESIDUES 22-558
|
Not recorded | 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 crystallization conditions
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.
|
Resolution 2.30 Å R-free 0.234 |
| 3GEL O-Methylphosphorylated Torpedo Acetylcholinesterase Obtained by Reaction with Methyl Paraoxon (AGED) Deposited 2009-02-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
25–556（532 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
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
|
Resolution 2.39 Å R-free 0.240 |
| 3I6M 3D Structure of Torpedo californica acetylcholinesterase complexed with N-piperidinopropyl-galanthamine Deposited 2009-07-07 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–556（534 aa）
Fragment：UNP residues 23-556
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；42% PEG200, 100mM MES pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.26 Å R-free 0.213 |
| 3I6Z 3D Structure of Torpedo californica acetylcholinesterase complexed with N-saccharinohexyl-galanthamine Deposited 2009-07-07 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–556（534 aa）
Fragment：UNP residues 23-556
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；42% PEG200, 100mM MES pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.19 Å R-free 0.212 |
| 3M3D Crystal structure of Acetylcholinesterase in complex with Xenon Deposited 2010-03-09 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
Fragment：UNP residues 22-564
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；42% PEG 200, 150mM MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.34 Å R-free 0.200 |
| 3ZV7 Torpedo californica Acetylcholinesterase Inhibition by Bisnorcymserine Deposited 2011-07-24 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
Fragment：RESIDUES 22-564
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；277 K；100 MM MES PH 6.0, 44% PEG200, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K
|
Resolution 2.26 Å R-free 0.247 |
| 4TVK TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A CHLOROTACRINE-JUGLONE HYBRID INHIBITOR Deposited 2014-06-27 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: Monomeric |
Chain A
23–556（534 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；30% PEG200, 100mM MES
|
Resolution 2.30 Å R-free 0.225 |
| 4W63 TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-BENZOFURAN HYBRID INHIBITOR Deposited 2014-08-20 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
23–556（534 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；30% PRG200, 100mM MES
|
Resolution 2.80 Å R-free 0.260 |
| 4X3C TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-NICOTINAMIDE HYBRID INHIBITOR Deposited 2014-11-28 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–556（534 aa）
Fragment：UNP residues 23-556
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；30% PEG 200, 100mM MES
|
Resolution 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 Deposited 2015-06-07 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
Fragment：UNP residues 22-558
|
Not recorded | 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 crystallization conditions
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.
|
Resolution 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 Deposited 2015-06-07 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Not recorded | 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 crystallization conditions
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.
|
Resolution 2.45 Å R-free 0.266 |
| 5DLP Acetylcholinesterase Methylene Blue no PEG Deposited 2015-09-07 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；46% PEG200 (v/v) in 100 mM NaCl/1 mM MES, pH 6.5
|
Resolution 2.70 Å R-free 0.224 |
| 5E2I Acetylcholinesterase Methylene Blue no PEG Deposited 2015-10-01 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
25–556（532 aa）
Fragment：UNP residues 25-556
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 PEG DI(HYDROXYETHYL)ETHER × 4 DME DECAMETHONIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；30% PEG200 (v/v) in 100 mM NaCl/1 mM MES, pH 5.6
|
Resolution 2.65 Å R-free 0.226 |
| 5E4J Acetylcholinesterase Methylene Blue no PEG Deposited 2015-10-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
25–556（532 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 DME DECAMETHONIUM ION × 2 SO4 SULFATE ION × 20 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；279 K；60% AS/360 mM Na,K phosphate/100 mM Na phosphate, pH 6.5
|
Resolution 2.54 Å R-free 0.229 |
| 5E4T Acetylcholinesterase Methylene Blue with PEG Deposited 2015-10-07 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；46% PEG200 (v/v) in 100 mM NaCl/1 mM MES, pH 6.5.
|
Resolution 2.43 Å R-free 0.206 |
| 5EHX Crystal structure of MSF-aged Torpedo californica Acetylcholinesterase Deposited 2015-10-29 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
25–556（532 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.2；277 K；MES 100 mM, pH 6.2
PEG 200 30%
|
Resolution 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) Deposited 2015-10-29 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–556（534 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；MES 100 mM, pH 6.2
PEG 200 30%
|
Resolution 2.10 Å R-free 0.206 |
| 5IH7 Acetylcholinesterase of Torpedo californica in complex with the N-methyl-indoxylacetate hydrolysis products Deposited 2016-02-29 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–556（534 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；MES 100mM, pH 6.2, PEG200 30%
|
Resolution 2.40 Å R-free 0.207 |
| 5NAP Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like inhibitor 17 Deposited 2017-02-28 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
|
Not recorded | DZ7 (2~{E})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277.15 K；MES 100 mM, pH 6.2
PEG 200 30%
|
Resolution 2.17 Å R-free 0.210 |
| 5NAU Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like compound 20 Deposited 2017-02-28 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
|
Not recorded | DZ0 (2~{E})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277.15 K；MES pH 6.2, 100 mM
PEG 200, 30%
|
Resolution 2.25 Å R-free 0.228 |
| 5NUU Torpedo californica acetylcholinesterase in complex with a chlorotacrine-tryptophan hybrid inhibitor Deposited 2017-05-02 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–564（543 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277.15 K；MES 100 mM, pH 6.2
PEG200 30%
|
Resolution 2.50 Å R-free 0.246 |
| 6EUC Reactivating oxime bound to Tc AChE's catalytic gorge. Deposited 2017-10-30 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
25–596（572 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.4；290 K；MES 100 mM p H 5.4.
PEG 200 36 %.
|
Resolution 2.22 Å R-free 0.220 |
| 6EUE Rivastigmine analogue bound to Tc ACHE. Deposited 2017-10-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
24–556（533 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 1PE PENTAETHYLENE GLYCOL × 10 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；295 K；MES 100 mM pH 5.5
PEG 200 32%
|
Resolution 2.00 Å R-free 0.225 |
| 6EWK T. californica AChE in complex with a 3-hydroxy-2-pyridine aldoxime. Deposited 2017-11-04 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
25–556（532 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.4；299 K；Polyethylen glycol 200 36 %
MES 100 mM pH 5.4
|
Resolution 2.22 Å R-free 0.220 |
| 6EZG Torpedo californica AChE in complex with indolic multi-target directed ligand Deposited 2017-11-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
Chain B
22–558（537 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.8；277 K；36% PEG 200
150mM MES pH 5.8
|
Resolution 2.20 Å R-free 0.237 |
| 6EZH Torpedo californica AChE in complex with indolic multi-target directed ligand Deposited 2017-11-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
Chain B
22–558（537 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；36% PEG 200
150mM MES pH 5.6
|
Resolution 2.60 Å R-free 0.273 |
| 6FLD Carbamylated T. californica acetylcholineterase bound to uncharged hybrid reactivator 1 Deposited 2018-01-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
25–556（532 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 crystallization conditions
VAPOR DIFFUSION；pH 5.4；293 K；PEG 200 30 %, MES 100 mM pH 5.4.
|
Resolution 2.40 Å R-free 0.210 |
| 6FQN Carbamylated T. californica acetylcholineterase bound to uncharged hybrid reactivator 2 Deposited 2018-02-14 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
25–556（532 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 crystallization conditions
VAPOR DIFFUSION；298 K；MES 100 mM pH 5.4
PEG 200 28%
|
Resolution 2.30 Å R-free 0.234 |
| 6G17 Non-aged form of Torpedo californica acetylcholinesterase inhibited by nerve agent tabun Deposited 2018-03-20 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；150mM MES pH 5.6
36% PEG200
|
Resolution 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 Deposited 2018-03-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–586（565 aa）
Chain B
22–586（565 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；30% PEG 200/50 mM MES pH 6.0
|
Resolution 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 Deposited 2018-03-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–586（565 aa）
Chain B
22–586（565 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；30% PEG 200/50 mM MES pH 6.0
|
Resolution 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 Deposited 2018-03-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–586（565 aa）
Chain B
22–586（565 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；30% PEG 200/50 mM MES pH 6.0
|
Resolution 1.90 Å R-free 0.218 |
| 6G4M Torpedo californica acetylcholinesterase bound to uncharged hybrid reactivator 1 Deposited 2018-03-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
Chain B
22–558（537 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；150mM MES
36% PEG 200
|
Resolution 2.63 Å R-free 0.265 |
| 6G4N Torpedo californica acetylcholinesterase bound to uncharged hybrid reactivator 2 Deposited 2018-03-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
Chain B
22–558（537 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.8；277 K；150 mM MES
36% PEG 200
|
Resolution 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 Deposited 2018-03-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
Chain B
22–558（537 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；150mM MES
36% PEG 200
|
Resolution 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 Deposited 2018-03-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
Chain B
22–558（537 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；150mM MES
36% PEG 200
|
Resolution 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 Deposited 2018-07-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–586（565 aa）
Chain B
22–586（565 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；30% PEG 200/50 mM MES pH 6.0
|
Resolution 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 Deposited 2018-07-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–586（565 aa）
Chain B
22–586（565 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；50 mM MES pH 6.0, 30% PEG 200
|
Resolution 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 Deposited 2018-07-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–586（565 aa）
Chain B
22–586（565 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；50 mM Mes pH 6.0, 30% PEG 2000
|
Resolution 1.86 Å R-free 0.211 |
| 6TT0 Crystal structure of a potent and reversible dual binding site Acetylcholinesterase chiral inhibitor Deposited 2019-12-22 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
25–596（572 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；32% PEG 200
100 mM MES pH 5.5
|
Resolution 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 Deposited 2020-09-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–586（586 aa）
Chain B
1–586（586 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；28% PEG 200
50 mM MES
|
Resolution 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 Deposited 2020-09-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–586（586 aa）
Chain B
1–586（586 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；28-32% PEG 200
50mM MES
|
Resolution 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 Deposited 2020-09-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–586（586 aa）
Chain B
1–586（586 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；28-32% PEG 200
50 mM MES
|
Resolution 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 Deposited 2020-09-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–586（586 aa）
Chain B
1–586（586 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；50 mM MES
28-32% PEG 200
|
Resolution 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 Deposited 2020-09-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–586（586 aa）
Chain B
1–586（586 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；50 mM MES
28-32% PEG 200
|
Resolution 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 Deposited 2020-09-28 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–586（586 aa）
|
Not recorded | 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 crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；50 mM MES
28-32% PEG 200
|
Resolution 1.86 Å R-free 0.197 |
| 7B2W Torpedo californica acetylcholinesterase complexed with UO2 Deposited 2020-11-28 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
22–558（537 aa）
|
Not recorded | IUM URANYL (VI) ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
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.
|
Resolution 2.65 Å R-free 0.212 |
| 7B38 Torpedo californica acetylcholinesterase complexed with Mg+2 Deposited 2020-11-29 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
25–556（532 aa）
|
Not recorded | 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 crystallization conditions
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
|
Resolution 1.85 Å R-free 0.241 |
| 7B8E Torpedo californica acetylcholinesterase complexed with Ca+2 Deposited 2020-12-12 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimer |
Chain A
22–558（537 aa）
|
Not recorded | 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 crystallization conditions
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.
|
Resolution 2.23 Å R-free 0.226 |
| 9SCM Crystal structure of Tc AChE with reactivator JDS364 Orthorhombic Deposited 2025-08-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
25–556（532 aa）
Chain D0Z0
25–556（532 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.40 Å R-free 0.229 |
| 9SCN Crystal structure of Tc AChE with reactivator JDS364 Monoclinic Deposited 2025-08-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
25–556（532 aa）
Chain B
25–556（532 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.40 Å R-free 0.236 |
| 9SCN Crystal structure of Tc AChE with reactivator JDS364 Monoclinic Deposited 2025-08-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
25–556（532 aa）
Chain D
25–556（532 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.40 Å R-free 0.236 |
124 other PDB entries and 125 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | ACES_TORCA |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 1–543； UniProt 22–564 |
