ACETYLCHOLINESTERASE
MUS MUSCULUS
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 homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain A； UniProt 32–574 Chain B； UniProt 32–574 | Fragment：CATALYTIC DOMAIN, RESIDUES 32-574 | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X13 N,N,N-trimethyl-13-[(methylsulfonyl)sulfanyl]tridecan-1-aminium × 2 PEG DI(HYDROXYETHYL)ETHER × 1 P6G HEXAETHYLENE GLYCOL × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：pH 7；pH 7 | Resolution 2.60 Å R-free 0.226 |
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 2WLS | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1C2B ELECTROPHORUS ELECTRICUS ACETYLCHOLINESTERASE Deposited 1999-07-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
35–574（540 aa）
Fragment：A4 FORM
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 8；279 K；NaKPO4, VAPOR DIFFUSION, pH 8.0, temperature 279K
|
Resolution 4.50 Å R-free 0.351 |
| 1C2O ELECTROPHORUS ELECTRICUS ACETYLCHOLINESTERASE Deposited 1999-07-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
36–574（539 aa）
Fragment：A4 FORM
Chain D
36–574（539 aa）
Fragment：A4 FORM
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；298 K；1.4 M ammonium sulfate, VAPOR DIFFUSION, temperature 298K, pH 5.5
|
Resolution 4.20 Å R-free 0.385 |
| 1C2O ELECTROPHORUS ELECTRICUS ACETYLCHOLINESTERASE Deposited 1999-07-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
36–574（539 aa）
Fragment：A4 FORM
Chain C
36–574（539 aa）
Fragment：A4 FORM
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；298 K；1.4 M ammonium sulfate, VAPOR DIFFUSION, temperature 298K, pH 5.5
|
Resolution 4.20 Å R-free 0.385 |
| 1J06 Crystal structure of mouse acetylcholinesterase in the apo form Deposited 2002-11-07 | 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
32–574（543 aa）
Fragment：CATALYTIC DOMAIN
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CO3 CARBONATE ION × 2 P6G HEXAETHYLENE GLYCOL × 1 AE3 2-(2-ETHOXYETHOXY)ETHANOL × 2 PG4 TETRAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；PEG 600, HEPES OR SODIUM ACETATE, pH 6.5-8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.35 Å R-free 0.232 |
| 1J07 Crystal structure of the mouse acetylcholinesterase-decidium complex Deposited 2002-11-07 | 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
32–574（543 aa）
Fragment：CATALYTIC DOMAIN
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CO3 CARBONATE ION × 2 CL CHLORIDE ION × 2 DCU 3,8-DIAMINO-5,10'-(TRIMETHYLAMMONIUM)DECYL-6-PHENYL PHENANTHRIDINIUM × 2 P6G HEXAETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；PEG 600, HEPES OR SODIUM ACETATE, pH 6.5-8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.35 Å R-free 0.227 |
| 1KU6 Fasciculin 2-Mouse Acetylcholinesterase Complex Deposited 2002-01-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
32–580（549 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10% PEG 2K, 50 mM NaAc, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.273 |
| 1KU6 Fasciculin 2-Mouse Acetylcholinesterase Complex Deposited 2002-01-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
32–580（549 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10% PEG 2K, 50 mM NaAc, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.273 |
| 1MAA MOUSE ACETYLCHOLINESTERASE CATALYTIC DOMAIN, GLYCOSYLATED PROTEIN Deposited 1998-11-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–578（547 aa）
Fragment：CATALYTIC DOMAIN
Chain B
32–578（547 aa）
Fragment：CATALYTIC DOMAIN
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 DME DECAMETHONIUM ION × 2 GOL GLYCEROL × 2 PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 2.90 Å R-free 0.248 |
| 1MAA MOUSE ACETYLCHOLINESTERASE CATALYTIC DOMAIN, GLYCOSYLATED PROTEIN Deposited 1998-11-04 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
32–578（547 aa）
Fragment：CATALYTIC DOMAIN
Chain D
32–578（547 aa）
Fragment：CATALYTIC DOMAIN
|
Not recorded | DME DECAMETHONIUM ION × 2 GOL GLYCEROL × 2 PO4 PHOSPHATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7.0
|
Resolution 2.90 Å R-free 0.248 |
| 1MAH FASCICULIN2-MOUSE ACETYLCHOLINESTERASE COMPLEX Deposited 1995-11-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
32–574（543 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
DATA SETS FROM FOUR CRYSTALS HAVE BEEN MERGED
|
Resolution 3.20 Å R-free 0.294 |
| 1N5M Crystal structure of the mouse acetylcholinesterase-gallamine complex Deposited 2002-11-06 | 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
32–572（541 aa）
Fragment：CATALYTIC DOMAIN
Chain B
32–572（541 aa）
Fragment：CATALYTIC DOMAIN
|
Not recorded | IOD IODIDE ION × 10 P6G HEXAETHYLENE GLYCOL × 1 GMN 2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-TRIETHYLETHANAMINIUM] × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CO3 CARBONATE ION × 1 PG4 TETRAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；PEG 600, HEPES OR SODIUM ACETATE, pH 6.5-8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.20 Å R-free 0.213 |
| 1N5R Crystal structure of the mouse acetylcholinesterase-propidium complex Deposited 2002-11-07 | 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
32–574（543 aa）
Fragment：CATALYTIC DOMAIN
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 P6G HEXAETHYLENE GLYCOL × 1 PRM 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM × 1 ACY ACETIC ACID × 2 PG4 TETRAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；PEG 600, SODIUM ACETATE, pH 6.5-8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.25 Å R-free 0.227 |
| 1Q83 Crystal structure of the mouse acetylcholinesterase-TZ2PA6 syn complex Deposited 2003-08-20 | 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
1–580（580 aa）
Chain B
1–580（580 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 P6G HEXAETHYLENE GLYCOL × 1 TZ5 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.75；277 K；25-32% PEG 600, 20 mM Hepes, pH 6.75, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.65 Å R-free 0.221 |
| 1Q84 Crystal structure of the mouse acetylcholinesterase-TZ2PA6 anti complex Deposited 2003-08-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–580（580 aa）
Chain B
1–580（580 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 P6G HEXAETHYLENE GLYCOL × 1 TZ4 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.75；277 K；25-32% PEG 600, 20-100 mM Hepes, pH 6.75, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.45 Å R-free 0.214 |
| 2C0P Aged form of mouse acetylcholinesterase inhibited by tabun Deposited 2005-09-07 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Not recorded | ATJ ETHYL HYDROGEN PHOSPHONATE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；27-31 % (V/V) PEG750MME, 0.1M HEPES PH 7.0
|
Resolution 2.50 Å R-free 0.220 |
| 2C0Q non-aged form of mouse acetylcholinesterase inhibited by tabun Deposited 2005-09-07 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Not recorded | NTJ R-ETHYL N,N-DIMETHYLPHOSPHONAMIDATE × 2 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；27-31% (V/V) PEG750MME, 0.1M HEPES PH 7.0
|
Resolution 2.50 Å R-free 0.246 |
| 2GYU Crystal structure of Mus musculus Acetylcholinesterase in complex with HI-6 Deposited 2006-05-10 | 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
32–574（543 aa）
Chain B
32–574（543 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 HI6 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM × 2 P4G 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE × 1 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；278 K；26-30 % PEG750MME, 0.1 M HEPES, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.20 Å R-free 0.225 |
| 2GYV Crystal structure of Mus musculus Acetylcholinesterase in complex with Ortho-7 Deposited 2006-05-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Chain B
32–574（543 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CO3 CARBONATE ION × 2 HBP 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME × 2 P3G 3,6,9,12,15-PENTAOXAHEPTADECANE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；278 K；26-30 % PEG750MME, 0.1 M HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.50 Å R-free 0.241 |
| 2GYW Crystal Structure of Mus musculus Acetylcholinesterase in Complex with Obidoxime Deposited 2006-05-10 | 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
32–574（543 aa）
Chain B
32–574（543 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CO3 CARBONATE ION × 2 OBI 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME × 2 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；278 K；26-30 % PEG750MME, 0.1 M HEPES, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.40 Å R-free 0.232 |
| 2H9Y Crystal structure of mouse acetylcholinesterase complexed with m-(N,N,N-trimethylammonio)trifluoroacetophenone Deposited 2006-06-12 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：catalytic domain
Chain B
32–574（543 aa）
Fragment：catalytic domain
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 NAF M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE × 2 P6G HEXAETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；25-32% P550 MME or P600, 60-100mM HEPES or Na acetate, pH 6.5-8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.40 Å R-free 0.214 |
| 2HA0 Crystal structure of mouse acetylcholinesterase complexed with 4-ketoamyltrimethylammonium Deposited 2006-06-12 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：catalytic domain
Chain B
32–574（543 aa）
Fragment：catalytic domain
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 IOD IODIDE ION × 14 NWA 4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM × 2 CHH N,N,N-TRIMETHYL-4-OXOPENTAN-1-AMINIUM × 2 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；25-32% PEG550 MME or PEG600, 60-100mM HEPES or Na acetate, pH 6.5-8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.20 Å R-free 0.219 |
| 2HA2 Crystal structure of mouse acetylcholinesterase complexed with succinylcholine Deposited 2006-06-12 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：catalytic domain
Chain B
32–574（543 aa）
Fragment：catalytic domain
|
Not recorded | FUC alpha-L-fucopyranose × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 SCK 2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-TRIMETHYLETHANAMINIUM) × 2 SCU N,N,N-TRIMETHYL-2-[(4-OXOBUTANOYL)OXY]ETHANAMINIUM × 2 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；25-32% PEG550 MME or PEG600, 60-100mM HEPES or Na acetate, pH 6.5-8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.05 Å R-free 0.222 |
| 2HA3 Crystal structure of mouse acetylcholinesterase complexed with choline Deposited 2006-06-12 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：catalytic domain
Chain B
32–574（543 aa）
Fragment：catalytic domain
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 P6G HEXAETHYLENE GLYCOL × 1 CHT CHOLINE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；25-32% PEG550 MME or PEG600, 60-100mM HEPES or Na acetate, pH 6.5-8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.25 Å R-free 0.199 |
| 2HA4 Crystal structure of mutant S203A of mouse acetylcholinesterase complexed with acetylcholine Deposited 2006-06-12 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：catalytic domain
Chain B
32–574（543 aa）
Fragment：catalytic domain
|
Mutation：S203A Mutation：S203A | ACT ACETATE ION × 2 ACH ACETYLCHOLINE × 4 P6G HEXAETHYLENE GLYCOL × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.56 Å R-free 0.224 |
| 2HA5 Crystal structure of mutant S203A of acetylcholinesterase complexed with acetylthiocholine Deposited 2006-06-12 | 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
32–574（543 aa）
Fragment：catalytic domain
Chain B
32–574（543 aa）
Fragment：catalytic domain
|
Mutation：S203A Mutation：S203A | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ACT ACETATE ION × 2 AT3 ACETYLTHIOCHOLINE × 5 ETM 2-(TRIMETHYLAMMONIUM)ETHYL THIOL × 4 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；25-32% PEG550 MME or PEG600, 60-100mM HEPES or Na acetate, pH 6.5-8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.15 Å R-free 0.210 |
| 2HA6 Crystal structure of mutant S203A of mouse acetylcholinesterase complexed with succinylcholine Deposited 2006-06-12 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：catalytic domain
Chain B
32–574（543 aa）
Fragment：catalytic domain
|
Mutation：S203A Mutation：S203A | SCK 2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-TRIMETHYLETHANAMINIUM) × 4 P6G HEXAETHYLENE GLYCOL × 1 ACY ACETIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；25-32% PEG550 MME or PEG600, 60-100mM HEPES or Na acetate, pH 6.5-8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.25 Å R-free 0.198 |
| 2HA7 Crystal structure of mutant S203A of mouse acetylcholinesterase complexed with butyrylthiocholine Deposited 2006-06-12 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：catalytic domain
Chain B
32–574（543 aa）
Fragment：catalytic domain
|
Mutation：S203A Mutation：S203A | IOD IODIDE ION × 9 ETM 2-(TRIMETHYLAMMONIUM)ETHYL THIOL × 2 BUA butanoic acid × 2 BCH 2-(BUTYRYLSULFANYL)-N,N,N-TRIMETHYLETHANAMINIUM × 2 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；25-32% PEG550 MME or PEG600, 60-100mM HEPES or Na acetate, pH 6.5-8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.66 Å R-free 0.241 |
| 2JEY Mus musculus acetylcholinesterase in complex with HLo-7 Deposited 2007-01-25 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Not recorded | HLO 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM × 2 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；27-30 & PEG750MME, 0.1 M HEPES PH 7.0
|
Resolution 2.70 Å R-free 0.261 |
| 2JEZ Mus musculus acetylcholinesterase in complex with tabun and HLo-7 Deposited 2007-01-25 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | HLO 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM × 2 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；27-30 % PEG750MME, 0.1 M HEPES PH 7.0
|
Resolution 2.60 Å R-free 0.243 |
| 2JF0 Mus musculus acetylcholinesterase in complex with tabun and Ortho-7 Deposited 2007-01-25 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | P6G HEXAETHYLENE GLYCOL × 1 HBP 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；27-30 % PEG750MME, 0.1 M HEPES PH 7.0
|
Resolution 2.50 Å R-free 0.251 |
| 2JGE Crystal structure of mouse acetylcholinesterase inhibited by non-aged methamidophos Deposited 2007-02-13 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | PGE TRIETHYLENE GLYCOL × 1 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；28% PEG 750MME, 0.1 M HEPES PH7.0, pH 7.00
|
Resolution 2.60 Å R-free 0.233 |
| 2JGF Crystal structure of mouse acetylcholinesterase inhibited by non-aged fenamiphos Deposited 2007-02-13 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 P6G HEXAETHYLENE GLYCOL × 1 PGE TRIETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；28% PEG750MME, 0.1M HEPES PH7.0, pH 7.00
|
Resolution 2.50 Å R-free 0.253 |
| 2JGI Crystal structure of mouse acetylcholinesterase inhibited by non-aged diisopropyl fluorophosphate (DFP) Deposited 2007-02-13 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 AE3 2-(2-ETHOXYETHOXY)ETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；28% PEG 750MME, 0.1 M HEPES PH7.0, pH 7.00
|
Resolution 2.90 Å R-free 0.242 |
| 2JGJ Crystal structure of mouse acetylcholinesterase inhibited by aged methamidophos Deposited 2007-02-13 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 AE3 2-(2-ETHOXYETHOXY)ETHANOL × 1 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；28% PEG 750MME, 0.1 M HEPES PH7.0, pH 7.00
|
Resolution 2.50 Å R-free 0.244 |
| 2JGK Crystal structure of mouse acetylcholinesterase inhibited by aged fenamiphos Deposited 2007-02-13 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；28% PEG 750MME, 0.1 M HEPES PH7.0, pH 7.00
|
Resolution 2.90 Å R-free 0.253 |
| 2JGL Crystal structure of mouse acetylcholinesterase inhibited by aged VX and sarin Deposited 2007-02-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PGE TRIETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；28% PEG 750MME, 0.1 M HEPES PH7.0, pH 7.00
|
Resolution 2.60 Å R-free 0.240 |
| 2JGL Crystal structure of mouse acetylcholinesterase inhibited by aged VX and sarin Deposited 2007-02-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PGE TRIETHYLENE GLYCOL × 1 P4G 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE × 1 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；28% PEG 750MME, 0.1 M HEPES PH7.0, pH 7.00
|
Resolution 2.60 Å R-free 0.240 |
| 2JGM Crystal structure of mouse acetylcholinesterase inhibited by aged diisopropyl fluorophosphate (DFP) Deposited 2007-02-13 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；28% PEG 750MME, 0.1 M HEPES PH7.0, pH 7.00
|
Resolution 2.90 Å R-free 0.242 |
| 2WHP Crystal structure of acetylcholinesterase, phosphonylated by sarin and in complex with HI-6 Deposited 2009-05-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
32–573（542 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-573
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 HI6 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM × 1 CO3 CARBONATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；26-30 % (V/V) PEG750MME 0.1 M HEPES PH 7.0
|
Resolution 2.20 Å R-free 0.210 |
| 2WHP Crystal structure of acetylcholinesterase, phosphonylated by sarin and in complex with HI-6 Deposited 2009-05-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
32–573（542 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-573
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 HI6 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM × 1 PEG DI(HYDROXYETHYL)ETHER × 1 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；26-30 % (V/V) PEG750MME 0.1 M HEPES PH 7.0
|
Resolution 2.20 Å R-free 0.210 |
| 2WHQ Crystal structure of acetylcholinesterase, phosphonylated by sarin (aged) in complex with HI-6 Deposited 2009-05-06 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 HI6 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM × 2 P6G HEXAETHYLENE GLYCOL × 1 PGE TRIETHYLENE GLYCOL × 4 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；26-30 % (V/V) PEG750MME 0.1 M HEPES PH 7.0
|
Resolution 2.15 Å R-free 0.212 |
| 2WHR Crystal structure of acetylcholinesterase in complex with K027 Deposited 2009-05-06 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Not recorded | K27 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 BR BROMIDE ION × 2 P4G 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE × 3 CO3 CARBONATE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 1 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；26-30 % (V/V) PEG750MME, 0.1 M HEPES PH 7.0
|
Resolution 2.54 Å R-free 0.219 |
| 2WU3 CRYSTAL STRUCTURE OF MOUSE ACETYLCHOLINESTERASE IN COMPLEX WITH FENAMIPHOS AND HI-6 Deposited 2009-09-28 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | HI6 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 P6G HEXAETHYLENE GLYCOL × 1 CO3 CARBONATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；28% PEG750MME, 0.1M HEPES PH7.0
|
Resolution 2.70 Å R-free 0.226 |
| 2WU4 CRYSTAL STRUCTURE OF MOUSE ACETYLCHOLINESTERASE IN COMPLEX WITH FENAMIPHOS AND ORTHO-7 Deposited 2009-09-28 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 HBP 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME × 2 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；28% PEG750MME, 0.1M HEPES PH7.0
|
Resolution 2.40 Å R-free 0.223 |
| 2XUD Crystal structure of the Y337A mutant of mouse acetylcholinesterase Deposited 2010-10-19 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Mutation：YES Mutation：YES | ACT ACETATE ION × 2 DME DECAMETHONIUM ION × 1 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；PROTEIN WAS CRYSTALLIZED FROM PEG-600 25-35% (V/V) IN 50-100 MM HEPES, PH 6.0-7.0, OR WITH PEG-550 MME 30% (V/V) IN 50 MM NA ACETATE, PH 7.5
|
Resolution 2.65 Å R-free 0.228 |
| 2XUF CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 ANTI COMPLEX (1 MTH) Deposited 2010-10-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–575（544 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-575
Chain B
32–575（544 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-575
|
Mutation：YES Mutation：YES | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 P6G HEXAETHYLENE GLYCOL × 1 TZ4 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；PROTEIN WAS CRYSTALLIZED FROM PEG-600 25-35% (V/V) IN 50-100 MM HEPES, PH 6.0-7.0, OR WITH PEG-550 MME 30% (V/V) IN 50 MM NA ACETATE, PH 7.5
|
Resolution 2.55 Å R-free 0.221 |
| 2XUG Crystal structure of mAChE-Y337A-TZ2PA6 anti complex (1 wk) Deposited 2010-10-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–575（544 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-575
Chain B
32–575（544 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-575
|
Mutation：YES Mutation：YES | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 P6G HEXAETHYLENE GLYCOL × 1 TZ4 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；PROTEIN WAS CRYSTALLIZED FROM PEG-600 25-35% (V/V) IN 50-100 MM HEPES, PH 6.0-7.0, OR WITH PEG-550 MME 30% (V/V) IN 50 MM NA ACETATE, PH 7.5
|
Resolution 2.60 Å R-free 0.233 |
| 2XUH CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 ANTI COMPLEX (10 MTH) Deposited 2010-10-19 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Mutation：YES Mutation：YES | TZ4 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；PROTEIN WAS CRYSTALLIZED FROM PEG-600 25-35% (V/V) IN 50-100 MM HEPES, PH 6.0-7.0, OR WITH PEG-550 MME 30% (V/V) IN 50 MM NA ACETATE, PH 7.5
|
Resolution 2.65 Å R-free 0.245 |
| 2XUI CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 SYN COMPLEX (1 WK) Deposited 2010-10-19 | Different construct Different mutation/modification 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
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Mutation：YES | P6G HEXAETHYLENE GLYCOL × 1 TZ5 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；PROTEIN WAS CRYSTALLIZED FROM 25-35% (V/V) PEG 600 IN 50 - 100 MM HEPES, PH 6.0 - 7.0, OR WITH PEG-550 MME 30% (V/V) IN 50 MM NA ACETATE, PH 7.5.
|
Resolution 2.60 Å R-free 0.235 |
| 2XUI CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 SYN COMPLEX (1 WK) Deposited 2010-10-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Mutation：YES | TZ5 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；PROTEIN WAS CRYSTALLIZED FROM 25-35% (V/V) PEG 600 IN 50 - 100 MM HEPES, PH 6.0 - 7.0, OR WITH PEG-550 MME 30% (V/V) IN 50 MM NA ACETATE, PH 7.5.
|
Resolution 2.60 Å R-free 0.235 |
| 2XUJ CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 SYN COMPLEX (1 MTH) Deposited 2010-10-19 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Mutation：YES Mutation：YES | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 P6G HEXAETHYLENE GLYCOL × 1 TZ5 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；PROTEIN WAS CRYSTALLIZED FROM PEG-600 25-35% (V/V) IN 50-100 MM HEPES, PH 6.0-7.0, OR WITH PEG-550 MME 30% (V/V) IN 50 MM NA ACETATE, PH 7.5
|
Resolution 2.65 Å R-free 0.250 |
| 2XUK CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 SYN COMPLEX (10 MTH) Deposited 2010-10-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Mutation：YES | TZ5 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；PROTEIN WAS CRYSTALLIZED FROM PEG-600 25-35% (V/V) IN 50-100 MM HEPES, PH 6.0-7.0, OR WITH PEG-550 MME 30% (V/V) IN 50 MM NA ACETATE, PH 7.5
|
Resolution 2.75 Å R-free 0.239 |
| 2XUK CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 SYN COMPLEX (10 MTH) Deposited 2010-10-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Mutation：YES | TZ5 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；PROTEIN WAS CRYSTALLIZED FROM PEG-600 25-35% (V/V) IN 50-100 MM HEPES, PH 6.0-7.0, OR WITH PEG-550 MME 30% (V/V) IN 50 MM NA ACETATE, PH 7.5
|
Resolution 2.75 Å R-free 0.239 |
| 2XUO CRYSTAL STRUCTURE OF MACHE-Y337A mutant in complex with soaked TZ2PA6 ANTI inhibitor Deposited 2010-10-19 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Mutation：YES Mutation：YES | P6G HEXAETHYLENE GLYCOL × 1 TZ4 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；PROTEIN WAS CRYSTALLIZED FROM PEG-600 25-35% (V/V) IN 50-100 MM HEPES, PH 6.0-7.0, OR WITH PEG-550 MME 30% (V/V) IN 50 MM NA ACETATE, PH 7.5
|
Resolution 2.80 Å R-free 0.247 |
| 2XUP CRYSTAL STRUCTURE OF the MACHE-Y337A mutant in complex with soaked TZ2PA6 SYN inhibitor Deposited 2010-10-19 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Mutation：YES Mutation：YES | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 P6G HEXAETHYLENE GLYCOL × 1 SO3 SULFITE ION × 2 TZ5 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；PROTEIN WAS CRYSTALLIZED FROM PEG-600 25-35% (V/V) IN 50-100 MM HEPES, PH 6.0-7.0, OR WITH PEG-550 MME 30% (V/V) IN 50 MM NA ACETATE, PH 7.5
|
Resolution 2.70 Å R-free 0.232 |
| 2XUQ CRYSTAL STRUCTURE OF the MACHE-Y337A mutant in complex with soaked TZ2PA6 ANTI-SYN inhibitors Deposited 2010-10-20 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Mutation：YES Mutation：YES | P6G HEXAETHYLENE GLYCOL × 1 TZ4 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；PROTEIN WAS CRYSTALLIZED FROM PEG-600 25-35% (V/V) IN 50-100 MM HEPES, PH 6.0-7.0, OR WITH PEG-550 MME 30% (V/V) IN 50 MM NA ACETATE, PH 7.5
|
Resolution 2.70 Å R-free 0.245 |
| 2Y2U Nonaged form of Mouse Acetylcholinesterase inhibited by VX-Update Deposited 2010-12-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 PEG DI(HYDROXYETHYL)ETHER × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.9；26-30% (V/V) PEG 750MME, 0.1 M HEPES PH 7.0.
|
Resolution 2.60 Å R-free 0.237 |
| 2Y2U Nonaged form of Mouse Acetylcholinesterase inhibited by VX-Update Deposited 2010-12-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PEG DI(HYDROXYETHYL)ETHER × 2 P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.9；26-30% (V/V) PEG 750MME, 0.1 M HEPES PH 7.0.
|
Resolution 2.60 Å R-free 0.237 |
| 2Y2V Nonaged form of Mouse Acetylcholinesterase inhibited by sarin-Update Deposited 2010-12-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 PEG DI(HYDROXYETHYL)ETHER × 3 ME2 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE × 1 P15 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；26-30% (V/V) PEG 750MME, 0.1 M HEPES PH 7.0.
|
Resolution 2.45 Å R-free 0.224 |
| 2Y2V Nonaged form of Mouse Acetylcholinesterase inhibited by sarin-Update Deposited 2010-12-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ME2 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE × 1 ETX 2-ETHOXYETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；26-30% (V/V) PEG 750MME, 0.1 M HEPES PH 7.0.
|
Resolution 2.45 Å R-free 0.224 |
| 3DL4 Non-Aged Form of Mouse Acetylcholinesterase Inhibited by Tabun- Update Deposited 2008-06-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：UNP residues 32-576
Chain B
32–574（543 aa）
Fragment：UNP residues 32-576
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；27-31 % (V/V) PEG750MME, 0.1M HEPES, 100 mM HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.50 Å R-free 0.245 |
| 3DL7 Aged Form of Mouse Acetylcholinesterase Inhibited by Tabun- Update Deposited 2008-06-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：UNP residues 32-576
Chain B
32–574（543 aa）
Fragment：UNP residues 32-576
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CL CHLORIDE ION × 1 P6G HEXAETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；27-31 % (V/V) PEG750MME, 0.1M HEPES, 100 mM HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.50 Å R-free 0.227 |
| 3ZLT Crystal structure of acetylcholinesterase in complex with RVX Deposited 2013-02-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PG0 2-(2-METHOXYETHOXY)ETHANOL × 3 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7
|
Resolution 2.60 Å R-free 0.215 |
| 3ZLT Crystal structure of acetylcholinesterase in complex with RVX Deposited 2013-02-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PG0 2-(2-METHOXYETHOXY)ETHANOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7
|
Resolution 2.60 Å R-free 0.215 |
| 3ZLU Crystal structure of mouse acetylcholinesterase in complex with cyclosarin Deposited 2013-02-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 1KA (2-hydroxyethoxy)acetaldehyde × 3 P15 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7
|
Resolution 2.60 Å R-free 0.217 |
| 3ZLU Crystal structure of mouse acetylcholinesterase in complex with cyclosarin Deposited 2013-02-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 1KA (2-hydroxyethoxy)acetaldehyde × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7
|
Resolution 2.60 Å R-free 0.217 |
| 3ZLV Crystal structure of mouse acetylcholinesterase in complex with tabun and HI-6 Deposited 2013-02-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HI6 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM × 1 CO3 CARBONATE ION × 1 1KA (2-hydroxyethoxy)acetaldehyde × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7
|
Resolution 2.50 Å R-free 0.226 |
| 3ZLV Crystal structure of mouse acetylcholinesterase in complex with tabun and HI-6 Deposited 2013-02-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HI6 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM × 1 1KA (2-hydroxyethoxy)acetaldehyde × 2 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7
|
Resolution 2.50 Å R-free 0.226 |
| 4A16 Structure of mouse Acetylcholinesterase complex with Huprine derivative Deposited 2011-09-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
35–574（540 aa）
Fragment：RESIDUES 35-574
Chain B
35–574（540 aa）
Fragment：RESIDUES 35-574
|
Not recorded | H34 (1-{4-[(7S,11S)-12-AMINO-3-CHLORO-6,7,10,11-TETRAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-9-YL]BUTYL}-1H-1,2,3-TRIAZOL-4-YL)METHANOL × 2 SO4 SULFATE ION × 7 CL CHLORIDE ION × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 9；0.1 M BICINE BUFFER PH 9, 1.6 M AMMONIUM SULFATE.
|
Resolution 2.65 Å R-free 0.206 |
| 4A16 Structure of mouse Acetylcholinesterase complex with Huprine derivative Deposited 2011-09-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
35–574（540 aa）
Fragment：RESIDUES 35-574
Chain D
35–574（540 aa）
Fragment：RESIDUES 35-574
|
Not recorded | H34 (1-{4-[(7S,11S)-12-AMINO-3-CHLORO-6,7,10,11-TETRAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-9-YL]BUTYL}-1H-1,2,3-TRIAZOL-4-YL)METHANOL × 2 SO4 SULFATE ION × 7 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 9；0.1 M BICINE BUFFER PH 9, 1.6 M AMMONIUM SULFATE.
|
Resolution 2.65 Å R-free 0.206 |
| 4A23 Mus musculus Acetylcholinesterase in complex with racemic C5685 Deposited 2011-09-22 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Not recorded | C56 4-(DIMETHYLAMINO)-N-{[(2R)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE × 2 C57 4-(DIMETHYLAMINO)-N-{[(2S)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE × 2 PEG DI(HYDROXYETHYL)ETHER × 5 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7
|
Resolution 2.40 Å R-free 0.209 |
| 4ARA Mus musculus Acetylcholinesterase in complex with (R)-C5685 at 2.5 A resolution. Deposited 2012-04-23 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Not recorded | C56 4-(DIMETHYLAMINO)-N-{[(2R)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE × 2 PEG DI(HYDROXYETHYL)ETHER × 9 EDO 1,2-ETHANEDIOL × 8 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 1PE PENTAETHYLENE GLYCOL × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.1 M HEPES, 30 % (V/V) POLYETHELENEGLYCOLEMONOMETHYLETHER, PH 7
|
Resolution 2.50 Å R-free 0.222 |
| 4ARB Mus musculus Acetylcholinesterase in complex with (S)-C5685 at 2.25 A resolution. Deposited 2012-04-23 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Not recorded | C57 4-(DIMETHYLAMINO)-N-{[(2S)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE × 2 PEG DI(HYDROXYETHYL)ETHER × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.1 M HEPES, 30 % (V/V) POLYETHELENEGLYCOLEMONOMETHYLETHER, pH 7
|
Resolution 2.25 Å R-free 0.209 |
| 4B7Z Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino-ethyl)-1-(4-methylphenyl)-methanesulfonamide Deposited 2012-08-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–576（545 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–576（545 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Not recorded | Q4Q N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide × 2 PEG DI(HYDROXYETHYL)ETHER × 13 P6G HEXAETHYLENE GLYCOL × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；27-30% (V/V) PEG750MME, 0.1 M HEPES PH 7.0-7.1
|
Resolution 2.30 Å R-free 0.201 |
| 4B80 Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino-ethyl)-1-(4-fluoro-phenyl)-methanesulfonamide Deposited 2012-08-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–576（545 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–576（545 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Not recorded | A36 N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide × 2 EDO 1,2-ETHANEDIOL × 6 SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 PEG DI(HYDROXYETHYL)ETHER × 6 PGE TRIETHYLENE GLYCOL × 2 P4C O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；27-31 % (W/V) PEG750MME, 0.1 M HEPES PH 7.0-7.1
|
Resolution 2.50 Å R-free 0.223 |
| 4B81 Mus musculus Acetylcholinesterase in complex with 1-(4-Chloro-phenyl)- N-(2-diethylamino-ethyl)-methanesulfonamide Deposited 2012-08-24 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Not recorded | ZN4 1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide × 2 SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 PEG DI(HYDROXYETHYL)ETHER × 8 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；27-31 % (W/V)PEG750 MME, 0.1 M HEPES PH 7.0-7.1
|
Resolution 2.80 Å R-free 0.239 |
| 4B82 Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino- ethyl)-2-fluoranyl-benzenesulfonamide Deposited 2012-08-24 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Not recorded | B3Z N-[2-(diethylamino)ethyl]-2-fluoranyl-benzenesulfonamide × 2 PEG DI(HYDROXYETHYL)ETHER × 10 SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；27-31 % (W/V) PEG750MME, 0.1 M HEPES PH 7.0-7.1
|
Resolution 2.10 Å R-free 0.215 |
| 4B83 Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino- ethyl)-3-methoxy-benzenesulfonamide Deposited 2012-08-24 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Not recorded | B3V N-[2-(diethylamino)ethyl]-3-methoxy-benzenesulfonamide × 4 EDO 1,2-ETHANEDIOL × 12 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 PEG DI(HYDROXYETHYL)ETHER × 3 SO4 SULFATE ION × 2 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；27-31 % (W/V) PEG750MME, 0.1 M HEPES PH 7.0-7.1
|
Resolution 2.40 Å R-free 0.222 |
| 4B84 Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino- ethyl)-3-trifluoromethyl-benzenesulfonamide Deposited 2012-08-24 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 P3G 3,6,9,12,15-PENTAOXAHEPTADECANE × 4 SO4 SULFATE ION × 2 Z5K N-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide × 3 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；27-31 % (W/V)PEG750 MME, 0.1 M HEPES PH 7.0-7.1
|
Resolution 2.60 Å R-free 0.235 |
| 4B85 Mus musculus Acetylcholinesterase in complex with 4-Chloranyl-N-(2- diethylamino-ethyl)-benzenesulfonamide Deposited 2012-08-24 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Not recorded | B3W 4-chloranyl-N-[2-(diethylamino)ethyl]benzenesulfonamide × 2 SO4 SULFATE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 8 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；27-31 % (W/V) PEG750MME, 0.1 M HEPES PH 7.0-7.1
|
Resolution 2.10 Å R-free 0.206 |
| 4BC0 Structure of mouse acetylcholinesterase inhibited by CBDP (12-h soak) : Cresyl-phosphoserine adduct Deposited 2012-09-30 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Chain B
32–574（543 aa）
|
Not recorded | 4OJ (2-methylphenyl) dihydrogen phosphate × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 SO4 SULFATE ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.4；0.1 M TRIS HCL BUFFER PH 7.4, 1.6 M AMMONIUM SULFATE
|
Resolution 3.35 Å R-free 0.208 |
| 4BC0 Structure of mouse acetylcholinesterase inhibited by CBDP (12-h soak) : Cresyl-phosphoserine adduct Deposited 2012-09-30 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
32–574（543 aa）
Chain D
32–574（543 aa）
|
Not recorded | 4OJ (2-methylphenyl) dihydrogen phosphate × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 SO4 SULFATE ION × 5 CL CHLORIDE ION × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.4；0.1 M TRIS HCL BUFFER PH 7.4, 1.6 M AMMONIUM SULFATE
|
Resolution 3.35 Å R-free 0.208 |
| 4BC1 Structure of mouse acetylcholinesterase inhibited by CBDP (30-min soak): cresyl-saligenin-phosphoserine adduct Deposited 2012-09-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Not recorded | TQV O-CRESYL-SALIGENIN PHOSPHATE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CL CHLORIDE ION × 3 SO4 SULFATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.4；0.1 M TRIS HCL BUFFER PH 7.4, 1.6 M AMMONIUM SULFATE
|
Resolution 2.95 Å R-free 0.238 |
| 4BC1 Structure of mouse acetylcholinesterase inhibited by CBDP (30-min soak): cresyl-saligenin-phosphoserine adduct Deposited 2012-09-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Not recorded | TQV O-CRESYL-SALIGENIN PHOSPHATE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CL CHLORIDE ION × 1 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.4；0.1 M TRIS HCL BUFFER PH 7.4, 1.6 M AMMONIUM SULFATE
|
Resolution 2.95 Å R-free 0.238 |
| 4BC1 Structure of mouse acetylcholinesterase inhibited by CBDP (30-min soak): cresyl-saligenin-phosphoserine adduct Deposited 2012-09-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Not recorded | TQV O-CRESYL-SALIGENIN PHOSPHATE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CL CHLORIDE ION × 4 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.4；0.1 M TRIS HCL BUFFER PH 7.4, 1.6 M AMMONIUM SULFATE
|
Resolution 2.95 Å R-free 0.238 |
| 4BC1 Structure of mouse acetylcholinesterase inhibited by CBDP (30-min soak): cresyl-saligenin-phosphoserine adduct Deposited 2012-09-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Not recorded | TQV O-CRESYL-SALIGENIN PHOSPHATE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 CL CHLORIDE ION × 3 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.4；0.1 M TRIS HCL BUFFER PH 7.4, 1.6 M AMMONIUM SULFATE
|
Resolution 2.95 Å R-free 0.238 |
| 4BTL Aromatic interactions in acetylcholinesterase-inhibitor complexes Deposited 2013-06-18 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, RESIDUES 32-574
|
Not recorded | 5GZ 4-(2-chloro-6-nitrophenoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 PE3 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL × 11 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；27-31 %(W/V) PEG750MME, 0.1 M HEPES PH 7.0-7.1
|
Resolution 2.50 Å R-free 0.232 |
| 5DTI Crystal structure of mouse acetylcholinesterase Deposited 2015-09-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–573（542 aa）
Fragment：UNP residues 32-573
Chain B
32–573（542 aa）
Fragment：UNP residues 32-573
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；274 K；30% v/v PEG 600, 0.1 M sodium citrate
|
Resolution 2.00 Å R-free 0.224 |
| 5DTJ Crystal Structure of dfp-inhibited mouse acetylcholinesterase in complex with the reactivator SP-134 Deposited 2015-09-18 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–573（542 aa）
Fragment：UNP residues 32-573
Chain B
32–573（542 aa）
Fragment：UNP residues 32-573
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 5G8 1-[5-(2,4-dichlorophenoxy)pentyl]-1H-imidazole × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；274 K；30% v/v PEG 600, 0.1 M sodium citrate
|
Resolution 2.71 Å R-free 0.221 |
| 5EHN mAChE-syn TZ2PA5 complex Deposited 2015-10-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Chain B
32–574（543 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 5NZ 6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine × 2 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；25-35%PEG550 MME or PEG600, 60-100 mM sodium acetate
|
Resolution 2.60 Å R-free 0.203 |
| 5EHQ mAChE-anti TZ2PA5 complex Deposited 2015-10-28 | 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
32–574（543 aa）
Fragment：UNP residues 32-574
Chain B
32–574（543 aa）
Fragment：UNP residues 32-574
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 5O2 6-phenyl-5-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine × 2 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；25-35% PEG550 MME or PEG600, 60-100 mM sodium acetate
|
Resolution 2.50 Å R-free 0.215 |
| 5EHZ mAChE-syn TZ2PA5 complex from an equimolar mixture of the syn/anti isomers Deposited 2015-10-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：UNP residues 32-574
Chain B
32–574（543 aa）
Fragment：UNP residues 32-574
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 5NZ 6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine × 2 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；25-35% PEG550 MME or PEG600, 60-100 mM Hepes or sodium acetate
|
Resolution 2.50 Å R-free 0.197 |
| 5EIA mACHE-anti TZ2PA5 complex from a 1:6 mixture of the syn/anti isomers Deposited 2015-10-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Chain B
32–574（543 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 5O2 6-phenyl-5-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine × 2 PG4 TETRAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；25-35% PEG 550 MME or PEG600, 60-100 mM Hepes or sodium acetate
|
Resolution 2.70 Å R-free 0.208 |
| 5EIE mAChE-TZ2 complex 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
32–574（543 aa）
Chain B
32–574（543 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 TZ2 ~{N}-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine × 2 ACT ACETATE ION × 2 PG4 TETRAETHYLENE GLYCOL × 2 CL CHLORIDE ION × 1 7PG 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；25-30% PEG 550 MME or PEG 600, 60-100 mM Hepes or sodium acetate
|
Resolution 2.10 Å R-free 0.193 |
| 5EIH mAChE-TZ2/PA5 complex Deposited 2015-10-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Chain B
32–574（543 aa）
|
Not recorded | TZ2 ~{N}-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine × 2 PZ5 5-hept-6-ynyl-6-phenyl-phenanthridin-5-ium-3,8-diamine × 1 ACT ACETATE ION × 2 P6G HEXAETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；25-35% PEG MME 550 or PEG 600, 60-100 mM Hepes or sodium acetate
|
Resolution 2.70 Å R-free 0.202 |
| 5FKJ Crystal structure of mouse acetylcholinesterase in complex with C-547, an alkyl ammonium derivative of 6-methyl uracil Deposited 2015-10-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
32–574（543 aa）
Fragment：UNP RESIDUES 32-574
Chain D
32–574（543 aa）
Fragment：UNP RESIDUES 32-574
|
Not recorded | G0W 1,3-BIS[5(DIETHYL-O-NITROBENZYLAMMONIUM)PENTYL]-6-METHYLURACIL × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 CL CHLORIDE ION × 15 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.4；0.1 M BICINE BUFFER PH 9, 1.6 M AMMONIUM SULFATE
|
Resolution 3.13 Å R-free 0.249 |
| 5FKJ Crystal structure of mouse acetylcholinesterase in complex with C-547, an alkyl ammonium derivative of 6-methyl uracil Deposited 2015-10-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：UNP RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：UNP RESIDUES 32-574
|
Not recorded | G0W 1,3-BIS[5(DIETHYL-O-NITROBENZYLAMMONIUM)PENTYL]-6-METHYLURACIL × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 CL CHLORIDE ION × 13 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.4；0.1 M BICINE BUFFER PH 9, 1.6 M AMMONIUM SULFATE
|
Resolution 3.13 Å R-free 0.249 |
| 5FPP Structure of a pre-reaction ternary complex between sarin- acetylcholinesterase and HI-6 Deposited 2015-12-02 | Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, UNP RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, UNP RESIDUES 32-574
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CO3 CARBONATE ION × 2 P6G HEXAETHYLENE GLYCOL × 1 AE3 2-(2-ETHOXYETHOXY)ETHANOL × 2 HI6 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7
|
Resolution 2.40 Å R-free 0.213 |
| 5FUM Mus musculus acetylcholinesterase in complex with AL200 Deposited 2016-01-28 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, UNP RESIDUES 32-574
Chain B
32–574（543 aa）
Fragment：CATALYTIC DOMAIN, UNP RESIDUES 32-574
|
Not recorded | SOF 2-(biphenyl-4-yloxy)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanone × 2 PG0 2-(2-METHOXYETHOXY)ETHANOL × 5 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；pH 7
|
Resolution 2.50 Å R-free 0.227 |
| 5HCU Crystal structure of mouse acetylchoinesterase inhibited by DFP Deposited 2016-01-04 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–571（540 aa）
Fragment：UNP residues 32-571
Chain B
32–571（540 aa）
Fragment：UNP residues 32-571
|
Non-standard monomer：Yes (specific site not provided by mmCIF) 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, SITTING DROP；pH 6.5；277 K；30% v/v PEG 600, 0.1 M sodium citrate
|
Resolution 2.42 Å R-free 0.234 |
| 5OV9 Crystal structure of Acetylcholinesterase in complex with Crystal Violet Deposited 2017-08-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Chain B
32–574（543 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 PG0 2-(2-METHOXYETHOXY)ETHANOL × 2 ETX 2-ETHOXYETHANOL × 3 EDO 1,2-ETHANEDIOL × 4 CVI CRYSTAL VIOLET × 4 PEG DI(HYDROXYETHYL)ETHER × 1 PGE TRIETHYLENE GLYCOL × 1 AE3 2-(2-ETHOXYETHOXY)ETHANOL × 1 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；30% (v/v) polyethylene glycol 750 monomethylether, 100 mM HEPES, pH 7.1
|
Resolution 2.40 Å R-free 0.195 |
| 6FSD Mus musculus acetylcholinesterase in complex with 2-(4-Biphenylyloxy)-N-[3-(1-piperidinyl)propyl]-acetamide hydrochloride (10) Deposited 2018-02-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Chain B
32–574（543 aa）
|
Not recorded | E5H 2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide × 2 TOE 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL × 1 PG0 2-(2-METHOXYETHOXY)ETHANOL × 2 1PG 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277.15 K；PEG 750, Hepes
|
Resolution 2.70 Å R-free 0.234 |
| 6FSE Mus musculus acetylcholinesterase in complex with 1-(4-(4-Ethylpiperazin-1-yl)piperidin-1-yl)-2-((4'-methoxy-[1,1'-biphenyl]-4-yl)oxy)ethanone dihydrochloride (15) Deposited 2018-02-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Chain B
32–574（543 aa）
|
Not recorded | E5K 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone × 2 1PG 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 PG0 2-(2-METHOXYETHOXY)ETHANOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277.15 K；PEG 750, Hepes buffer
|
Resolution 2.70 Å R-free 0.243 |
| 6TD2 Mus musculus Acetylcholinesterase in complex with N-(2-(diethylamino)ethyl)-1-(4-(trifluoromethyl)phenyl)methanesulfonamide Deposited 2019-11-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Chain B
32–574（543 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 N2K ~{N}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide × 2 EDO 1,2-ETHANEDIOL × 6 PG0 2-(2-METHOXYETHOXY)ETHANOL × 5 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 ETE 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；30 % (w/v) PEG750MME
0.1 M HEPES pH 7.0
|
Resolution 2.80 Å R-free 0.215 |
| 7QAK Mus Musculus Acetylcholinesterase in complex with 7-[(4-{[benzyl(methyl)amino]methyl}benzyl)oxy]-4-(hydroxymethyl)-2H-chromen-2-one Deposited 2021-11-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Chain B
32–574（543 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 5IK 4-(hydroxymethyl)-7-[[4-[[methyl-(phenylmethyl)amino]methyl]phenyl]methoxy]chromen-2-one × 2 EDO 1,2-ETHANEDIOL × 1 PG0 2-(2-METHOXYETHOXY)ETHANOL × 12 TOE 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL × 1 P15 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；30% (v/v) polyethylene glycol 750 monomethylether, 100 mM HEPES, pH 7.1
|
Resolution 2.60 Å R-free 0.224 |
| 7QB4 Mus Musculus Acetylcholinesterase in complex with 7-[(1-benzylpiperidin-3-yl)methoxy]-3,4-dimethyl-2H-chromen-2-one Deposited 2021-11-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Chain B
32–574（543 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 AJ9 3,4-dimethyl-7-[[1-(phenylmethyl)piperidin-4-yl]methoxy]chromen-2-one × 2 PG0 2-(2-METHOXYETHOXY)ETHANOL × 15 EDO 1,2-ETHANEDIOL × 3 TOE 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL × 1 9YU 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；30% (v/v) polyethylene glycol 750 monomethylether, 100 mM HEPES, pH 7.1
|
Resolution 2.50 Å R-free 0.217 |
| 7QYN Mus musculus acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium Deposited 2022-01-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Chain B
32–574（543 aa）
|
Not recorded | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 I1X 4-methyl-3-nitro-~{N}-[(2~{E},4~{E})-5-[2-[(oxidanylamino)methyl]pyridin-1-yl]penta-2,4-dienyl]benzamide × 2 PG0 2-(2-METHOXYETHOXY)ETHANOL × 11 TOE 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL × 2 P15 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；28-30 % (w/v) PEG750MME
0.1 M HEPES pH 6.9-7.1
|
Resolution 2.50 Å R-free 0.202 |
| 7R02 Mus musculus acetylcholinesterase in complex with N-(3-(diethylamino)propyl)-4-methyl-3-nitrobenzamide Deposited 2022-02-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Chain B
32–574（543 aa）
|
Not recorded | I62 N-[(2E)-3-(diethylamino)prop-2-en-1-yl]-4-methyl-3-nitrobenzamide × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 PG0 2-(2-METHOXYETHOXY)ETHANOL × 11 EDO 1,2-ETHANEDIOL × 1 9YU 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；28-30% (w/v) PEG750MME
0.1 M HEPES pH 6.9-7.1
|
Resolution 2.30 Å R-free 0.185 |
| 7R0A Structure of sarin phosphonylated acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium Deposited 2022-02-01 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Chain B
32–574（543 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | I4H ~{N}-ethyl-4-methyl-3-nitro-benzamide × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 PG0 2-(2-METHOXYETHOXY)ETHANOL × 5 P15 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL × 1 TOE 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；28-30 % (w/v) PEG750MME
0.1 M HEPES pH 6.9-7.1
|
Resolution 2.80 Å R-free 0.220 |
| 7R2F Structure of tabun inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium Deposited 2022-02-04 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Chain B
32–574（543 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 I1X 4-methyl-3-nitro-~{N}-[(2~{E},4~{E})-5-[2-[(oxidanylamino)methyl]pyridin-1-yl]penta-2,4-dienyl]benzamide × 2 PG0 2-(2-METHOXYETHOXY)ETHANOL × 14 7PG 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；28-30 % /w7v) PEG750MME
0.1 M HEPES pH 6.9-7.1
|
Resolution 2.30 Å R-free 0.205 |
| 7R3C VX-inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium Deposited 2022-02-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Chain B
32–574（543 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | I1X 4-methyl-3-nitro-~{N}-[(2~{E},4~{E})-5-[2-[(oxidanylamino)methyl]pyridin-1-yl]penta-2,4-dienyl]benzamide × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 PG0 2-(2-METHOXYETHOXY)ETHANOL × 7 TOE 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL × 3 P15 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；27-30 % (w/v) PEG750MME
0.1 M HEPES pH 7.0-7.1
|
Resolution 2.40 Å R-free 0.197 |
| 7R4E RVX-inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium Deposited 2022-02-08 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Chain B
32–574（543 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | I1X 4-methyl-3-nitro-~{N}-[(2~{E},4~{E})-5-[2-[(oxidanylamino)methyl]pyridin-1-yl]penta-2,4-dienyl]benzamide × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 PG0 2-(2-METHOXYETHOXY)ETHANOL × 5 TOE 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL × 3 P15 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；27-30 % (w/v) PEG750MME
0.1 M HEPES pH 7.0-7.1
|
Resolution 3.00 Å R-free 0.205 |
| 8ORC Mus Musculus Acetylcholinesterase in complex with AL237 Deposited 2023-04-13 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Chain B
32–574（543 aa）
|
Not recorded | VY8 1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)thiourea × 2 PG0 2-(2-METHOXYETHOXY)ETHANOL × 4 MXE 2-METHOXYETHANOL × 5 TOE 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL × 2 7PG 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.1；277 K；30% (V/V) POLYETHYLENE GLYCOL 750
MONOMETHYLETHER, 100 MM HEPES
|
Resolution 2.10 Å R-free 0.207 |
| 9SND Mus musculus acetylcholinesterase in complex with 2-(1H-indol-3-yl)-N-(2-methoxybenzyl)ethan-1-amine Deposited 2025-09-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Chain B
32–574（543 aa）
|
Not recorded | A1JOW 2-(1~{H}-indol-3-yl)-~{N}-[(2-methoxyphenyl)methyl]ethanamine × 5 9YU 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol × 1 PG0 2-(2-METHOXYETHOXY)ETHANOL × 3 TOE 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；26-30 % PEG750 MME
0.1 M HEPES, pH 7.1
|
Resolution 2.40 Å R-free 0.223 |
| 9SNJ Mus musculus acetylcholinesterase in complex with N-(2-methoxybenzyl)-2-(1-methyl-1H-indol-3-yl)ethan-1-amine Deposited 2025-09-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
32–574（543 aa）
Chain B
32–574（543 aa）
|
Not recorded | A1JO2 ~{N}-[(2-methoxyphenyl)methyl]-2-(1-methylindol-3-yl)ethanamine × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；26-30 % PEG 750 MME
0.1 M HEPES pH 7.0-7.2
|
Resolution 2.30 Å R-free 0.203 |
97 other PDB entries and 115 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | ACES_MOUSE |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 1–543； UniProt 32–574 Author chain B； PDBConstruct 1–543； UniProt 32–574 |
