UniProt P04058
Acetylcholinesterase (P04058)
Acetylcholinesterase (UniProt P04058), EC 3.1.1.7: 234 experimental structures and 1 predicted model on GenesisL1, 42 ligands bound, 150 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P04058
- Protein
- Acetylcholinesterase
- EC
- 3.1.1.7
- Experimental structures
- 234
- Predicted models
- 1
- Ligands
- 42
- Pockets
- 150 · 19 records with a druggable one
Structures
235 records of P04058 in the MolNFT archive: 234 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1ACJ | Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase | x-ray diffraction | A | — | — |
| 1ACJ | Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase | x-ray diffraction | A | — | — |
| 1ACL | Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase | x-ray diffraction | A | — | — |
| 1ACL | Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase | x-ray diffraction | A | — | — |
| 1AMN | Transition state analog: acetylcholinesterase complexed with… | x-ray diffraction | A | — | — |
| 1AMN | Transition state analog: acetylcholinesterase complexed with M-(N,N,N… | x-ray diffraction | A | — | — |
| 1AX9 | Acetylcholinesterase complexed with edrophonium, laue data | x-ray diffraction | A | — | — |
| 1AX9 | Acetylcholinesterase complexed with edrophonium, laue data | x-ray diffraction | A | — | — |
| 1CFJ | Methylphosphonylated acetylcholinesterase (aged) obtained by reaction with… | x-ray diffraction | A | — | — |
| 1CFJ | Methylphosphonylated acetylcholinesterase (aged) obtained by reaction with… | x-ray diffraction | A | — | — |
| 1DX6 | Structure of acetylcholinesterase complexed with (-)-galanthamine at 2.3A resolution | x-ray diffraction | A | — | — |
| 1DX6 | Structure of acetylcholinesterase complexed with (-)-galanthamine at 2.3A resolution | x-ray diffraction | A | — | — |
| 1E3Q | Torpedo californica acetylcholinesterase complexed with BW284C51 | x-ray diffraction | A | — | — |
| 1E3Q | Torpedo californica acetylcholinesterase complexed with BW284C51 | x-ray diffraction | A | — | — |
| 1E66 | Structure of acetylcholinesterase complexed with (-)-huprine X at 2.1A resolution | x-ray diffraction | A | — | — |
| 1E66 | Structure of acetylcholinesterase complexed with (-)-huprine X at 2.1A resolution | x-ray diffraction | A | — | — |
| 1EA5 | NATIVE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA at 1.8A resolution | x-ray diffraction | A | — | — |
| 1EA5 | Native acetylcholinesterase (E.C. 3.1.1.7) from torpedo californica at 1.8A resolution | x-ray diffraction | A | — | — |
| 1EEA | Acetylcholinesterase | x-ray diffraction | A | — | — |
| 1EEA | Acetylcholinesterase | x-ray diffraction | A | — | — |
| 1EVE | Three dimensional structure of the anti-alzheimer drug, E2020 (aricept), complexed with its target… | x-ray diffraction | A | — | — |
| 1EVE | Three dimensional structure of the anti-alzheimer drug, E2020 (aricept), complexed with its target… | x-ray diffraction | A | — | — |
| 1FSS | Acetylcholinesterase (E.C. 3.1.1.7) complexed with fasciculin-II | x-ray diffraction | A | — | — |
| 1FSS | Acetylcholinesterase (E.C. 3.1.1.7) complexed with fasciculin-II | x-ray diffraction | A | — | — |
| 1GPK | Structure of Acetylcholinesterase Complex with (+)-Huperzine A at 2.1A Resolution | x-ray diffraction | A | — | — |
| 1GPK | Structure of acetylcholinesterase complex with (+)-huperzine a at 2.1A resolution | x-ray diffraction | A | — | — |
| 1GPN | Structure of acetylcholinesterase complexed with huperzine B at 2.35A resolution | x-ray diffraction | A | — | — |
| 1GPN | Structure of acetylcholinesterase complexed with huperzine B at 2.35A resolution | x-ray diffraction | A | — | — |
| 1GQR | Acetylcholinesterase (E.C. 3.1.1.7) complexed with rivastigmine | x-ray diffraction | A | — | — |
| 1GQR | Acetylcholinesterase (E.C. 3.1.1.7) complexed with rivastigmine | x-ray diffraction | A | — | — |
| 1GQS | Acetylcholinesterase (E.C. 3.1.1.7) complexed with nap | x-ray diffraction | A | — | — |
| 1GQS | Acetylcholinesterase (E.C. 3.1.1.7) complexed with nap | x-ray diffraction | A | — | — |
| 1H22 | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(10)-hupyridone at… | x-ray diffraction | A | — | — |
| 1H22 | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)- (-)-BIS(10)-hupyridone at… | x-ray diffraction | A | — | — |
| 1H23 | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(12)-hupyridone at… | x-ray diffraction | A | — | — |
| 1H23 | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)- (-)-BIS(12)-hupyridone at… | x-ray diffraction | A | — | — |
| 1HBJ | X-ray Crystal structure of complex between Torpedo californica AChE and a reversible inhibitor… | x-ray diffraction | A | — | — |
| 1HBJ | X-ray crystal structure of complex between torpedo californica ache and a reversible inhibitor… | x-ray diffraction | A | — | — |
| 1JJB | A neutral molecule in cation-binding site: Specific binding of PEG-SH to Acetylcholinesterase from… | x-ray diffraction | A | — | — |
| 1JJB | A neutral molecule in cation-binding site: specific binding of peg-sh to acetylcholinesterase from… | x-ray diffraction | A | — | — |
| 1OCE | Acetylcholinesterase (E.C. 3.1.1.7) complexed with MF268 | x-ray diffraction | A | MF2 | 4 (best 0.77) |
| 1OCE | Acetylcholinesterase (E.C. 3.1.1.7) complexed with MF268 | x-ray diffraction | A | — | — |
| 1ODC | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with… | x-ray diffraction | A | — | — |
| 1ODC | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with N-4'… | x-ray diffraction | A | — | — |
| 1QID | Specific chemical and structural damage at nine time points (point a) caused by intense synchrotron… | x-ray diffraction | A | — | — |
| 1QID | Specific chemical and structural damage at nine time points (point a) caused by intense synchrotron… | x-ray diffraction | A | — | — |
| 1QIE | Specific chemical and structural damage at nine time points (point B) caused by intense synchrotron… | x-ray diffraction | A | — | — |
| 1QIE | Specific chemical and structural damage at nine time points (point B) caused by intense synchrotron… | x-ray diffraction | A | — | — |
| 1QIF | Specific chemical and structural damage at nine time points (point C) caused by intense synchrotron… | x-ray diffraction | A | — | — |
| 1QIF | Specific chemical and structural damage at nine time points (point C) caused by intense synchrotron… | x-ray diffraction | A | — | — |
| 1QIG | Specific chemical and structural damage at nine time points (point D) caused by intense synchrotron… | x-ray diffraction | A | — | — |
| 1QIG | Specific chemical and structural damage at nine time points (point D) caused by intense synchrotron… | x-ray diffraction | A | — | — |
| 1QIH | Specific chemical and structural damage at nine time points (point E) caused by intense synchrotron… | x-ray diffraction | A | — | — |
| 1QIH | Specific chemical and structural damage at nine time points (point E) caused by intense synchrotron… | x-ray diffraction | A | — | — |
| 1QII | Specific chemical and structural damage at nine time points (point F) caused by intense synchrotron… | x-ray diffraction | A | — | — |
| 1QII | Specific chemical and structural damage at nine time points (point F) caused by intense synchrotron… | x-ray diffraction | A | — | — |
| 1QIJ | Specific chemical and structural damage at nine time points (point G) caused by intense synchrotron… | x-ray diffraction | A | — | — |
| 1QIJ | Specific chemical and structural damage at nine time points (point G) caused by intense synchrotron… | x-ray diffraction | A | — | — |
| 1QIK | Specific chemical and structural damage at nine time points (point H) caused by intense synchrotron… | x-ray diffraction | A | — | — |
| 1QIK | Specific chemical and structural damage at nine time points (point H) caused by intense synchrotron… | x-ray diffraction | A | — | — |
175 records more on the page itself.
Ligands
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 54 records
- CL · Chloride ion · in 27 records
- DQ5 · 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol · in 5 records
- SO4 · Sulfate ion · in 5 records
- ELT · ethoxy-~{N},~{N}-dimethyl-phosphonamidic acid · in 4 records
- E2W · 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl) amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol · in 3 records
- RM0 · 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol · in 3 records
- 03S · methanesulfonic acid · in 2 records
- 8U2 · 2-{1-[4-(12-Amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl)butyl]-1H-1,2,3-triazol-4-yl}-N-[4-hydroxy-3-methoxybenzyl]acetamide · in 2 records
- 8U5 · E)-10-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)-6-decenamide · in 2 records
- 8UH · 6-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)hexanamide · in 2 records
- C6H · 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one · in 2 records
- C6K · 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one · in 2 records
- DME · Decamethonium ion · in 2 records
- DZ0 · (2~{E})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one · in 2 records
- DZ7 · (2~{E})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one · in 2 records
- E0Z · 2-[1-[2-[(3-chloranylacridin-9-yl)amino]ethyl]-1,2,3-triazol-4-yl]-~{N}-[(3-methoxy-4-oxidanyl-phenyl) methyl]ethanamide · in 2 records
- E1N · 12-amino-3-chloro-6,7,10,11-tetrahydro-5,9-dimethyl-7, 11-methanocycloocta[b]quinolin-5-ium · in 2 records
- FJN · [1-[2-(1,2,3,4,4~{A},9~{A}-hexahydroacridin-9-ylamino) ethyl]-1,2,3-triazol-4-yl]methyl-[[2-[[(10~{B}~{S})-6-oxidanylidene-2,3,4,10~{B}-tetrahydro-1~{H}-pyrido[2, 1-a]isoindol-10-yl]carbamoylamino]pyridin-4-yl]methyl]-methyl-azanium · in 2 records
- FW8 · 1-[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea · in 2 records
- JDS · 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl) amino]butyl]-2-[(~{Z})-hydroxyiminomethyl]pyridin-3-ol · in 2 records
- MBT · 3,7-bis(dimethylamino)phenothiazin-5-ium · in 2 records
- N9T · (1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide · in 2 records
- NA · Sodium ion · in 2 records
- NTJ · R-ethyl N,N-dimethylphosphonamidate · in 2 records
- ZN · Zinc ion · in 2 records
- 1PG · 2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol · in 1 record
- 4VV · (Z,Z)-[heptane-1,7-diylbis(1H-imidazol-1-yl-2-ylidene)]bis(N-hydroxymethanamine) · in 1 record
- 8UE · 4-{[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]methyl}-N-(4-hydroxy-3-methoxybenzyl)benzamide · in 1 record
- 8UK · 7-[(3-chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)heptanamide · in 1 record
Experiment against prediction
- 2WG1 chain A against the predicted model P04058: TM-score 1.00, RMSD 0.21 Å
- 2WG1 chain A against the predicted model P04058: TM-score 1.00, RMSD 0.21 Å
- 1EA5 chain A against the predicted model P04058: TM-score 1.00, RMSD 0.21 Å
- 1EA5 chain A against the predicted model P04058: TM-score 1.00, RMSD 0.21 Å
- 2C5G chain A against the predicted model P04058: TM-score 1.00, RMSD 0.21 Å
- 2C5G chain A against the predicted model P04058: TM-score 1.00, RMSD 0.21 Å
- 2WG2 chain A against the predicted model P04058: TM-score 1.00, RMSD 0.21 Å
- 2WG2 chain A against the predicted model P04058: TM-score 1.00, RMSD 0.21 Å
- 2WFZ chain A against the predicted model P04058: TM-score 1.00, RMSD 0.21 Å
- 2WFZ chain A against the predicted model P04058: TM-score 1.00, RMSD 0.21 Å
Elsewhere
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