UniProt P06276
Cholinesterase (P06276)
Cholinesterase (UniProt P06276), EC 3.1.1.8: 127 experimental structures and 1 predicted model on GenesisL1, 52 ligands bound, 51 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P06276
- Protein
- Cholinesterase
- EC
- 3.1.1.8
- Experimental structures
- 127
- Predicted models
- 1
- Ligands
- 52
- Pockets
- 51 · 8 records with a druggable one
Structures
128 records of P06276 in the MolNFT archive: 127 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1P0I | Crystal structure of human butyryl cholinesterase | x-ray diffraction | A | — | — |
| 1P0I | Crystal structure of human butyryl cholinesterase | x-ray diffraction | A | — | — |
| 1P0M | Crystal structure of human butyryl cholinesterase in complex with a choline molecule | x-ray diffraction | A | — | — |
| 1P0M | Crystal structure of human butyryl cholinesterase in complex with a choline molecule | x-ray diffraction | A | — | — |
| 1P0P | Crystal structure of soman-aged human butyryl cholinesterase in complex with the substrate analog… | x-ray diffraction | A | — | — |
| 1P0P | Crystal structure of soman-aged human butyryl cholinesterase in complex with the substrate analog… | x-ray diffraction | A | — | — |
| 1P0Q | Crystal structure of soman-aged human butyryl cholinesterase | x-ray diffraction | A | — | — |
| 1P0Q | Crystal structure of soman-aged human butyryl cholinesterase | x-ray diffraction | A | — | — |
| 1XLU | X-Ray Structure Of Di-Isopropyl-Phosphoro-Fluoridate (Dfp) Inhibited Butyrylcholinesterase after… | x-ray diffraction | A | — | — |
| 1XLU | X-ray structure of di-isopropyl-phosphoro-fluoridate (dfp) inhibited butyrylcholinesterase after… | x-ray diffraction | A | — | — |
| 1XLV | Ethylphosphorylated Butyrylcholinesterase (Aged) Obtained By Reaction With Echothiophate | x-ray diffraction | A | — | — |
| 1XLV | Ethylphosphorylated butyrylcholinesterase (aged) obtained by reaction with echothiophate | x-ray diffraction | A | — | — |
| 1XLW | Diethylphosphorylated Butyrylcholinesterase (Nonaged) Obtained By Reaction With Echothiophate | x-ray diffraction | A | — | — |
| 1XLW | Diethylphosphorylated butyrylcholinesterase (nonaged) obtained by reaction with echothiophate | x-ray diffraction | A | — | — |
| 2J4C | Structure of human Butyrylcholinesterase in complex with 10mM HgCl2 | x-ray diffraction | A | — | — |
| 2J4C | Structure of human butyrylcholinesterase in complex with 10MM HGCL2 | x-ray diffraction | A | — | — |
| 2PM8 | Crystal structure of recombinant full length human butyrylcholinesterase | x-ray diffraction | A, B | — | — |
| 2PM8 | Crystal structure of recombinant full length human butyrylcholinesterase | x-ray diffraction | A, B | — | — |
| 2WID | Nonaged form of human butyrylcholinesterase inhibited by tabun analogue TA1 | x-ray diffraction | A | — | — |
| 2WID | Nonaged form of human butyrylcholinesterase inhibited by tabun analogue TA1 | x-ray diffraction | A | — | — |
| 2WIF | Aged form of human butyrylcholinesterase inhibited by tabun analogue TA1 | x-ray diffraction | A | — | — |
| 2WIF | Aged form of human butyrylcholinesterase inhibited by tabun analogue TA1 | x-ray diffraction | A | — | — |
| 2WIG | Nonaged form of human butyrylcholinesterase inhibited by tabun analogue TA4 | x-ray diffraction | A | — | — |
| 2WIG | Nonaged form of human butyrylcholinesterase inhibited by tabun analogue TA4 | x-ray diffraction | A | — | — |
| 2WIJ | Nonaged form of human butyrylcholinesterase inhibited by tabun analogue TA5 | x-ray diffraction | A | — | — |
| 2WIJ | Nonaged form of human butyrylcholinesterase inhibited by tabun analogue TA5 | x-ray diffraction | A | — | — |
| 2WIK | Nonaged form of human butyrylcholinesterase inhibited by tabun analogue TA6 | x-ray diffraction | A | — | — |
| 2WIK | Nonaged form of human butyrylcholinesterase inhibited by tabun analogue TA6 | x-ray diffraction | A | — | — |
| 2WIL | Aged form of human butyrylcholinesterase inhibited by tabun analogue TA5 | x-ray diffraction | A, B | — | — |
| 2WIL | Aged form of human butyrylcholinesterase inhibited by tabun analogue TA5 | x-ray diffraction | A, B | — | — |
| 2WSL | Aged Form of Human Butyrylcholinesterase Inhibited by Tabun Analogue TA4 | x-ray diffraction | A | — | — |
| 2WSL | Aged form of human butyrylcholinesterase inhibited by tabun analogue TA4 | x-ray diffraction | A | — | — |
| 2XMB | G117H mutant of human butyrylcholinesterase in complex with sulfate | x-ray diffraction | A | — | — |
| 2XMB | G117H mutant of human butyrylcholinesterase in complex with sulfate | x-ray diffraction | A | — | — |
| 2XMC | G117H mutant of human butyrylcholinesterase in complex with fluoride anion | x-ray diffraction | A | — | — |
| 2XMC | G117H mutant of human butyrylcholinesterase in complex with fluoride anion | x-ray diffraction | A | — | — |
| 2XMD | G117H mutant of human butyrylcholinesterase in complex with echothiophate | x-ray diffraction | A | — | — |
| 2XMD | G117H mutant of human butyrylcholinesterase in complex with echothiophate | x-ray diffraction | A | — | — |
| 2XMG | G117H mutant of human butyrylcholinesterase in complex with VX | x-ray diffraction | A | — | — |
| 2XMG | G117H mutant of human butyrylcholinesterase in complex with vx | x-ray diffraction | A | — | — |
| 2XQF | X-ray Structure of human butyrylcholinesterase inhibited by racemic VX | x-ray diffraction | A | — | — |
| 2XQF | X-ray structure of human butyrylcholinesterase inhibited by racemic vx | x-ray diffraction | A | — | — |
| 2XQG | X-ray Structure of human butyrylcholinesterase inhibited by racemic VR | x-ray diffraction | A | — | — |
| 2XQG | X-ray structure of human butyrylcholinesterase inhibited by racemic vr | x-ray diffraction | A | — | — |
| 2XQI | X-ray Structure of human butyrylcholinesterase inhibited by racemic CVX | x-ray diffraction | A | — | — |
| 2XQI | X-ray structure of human butyrylcholinesterase inhibited by racemic cvx | x-ray diffraction | A | — | — |
| 2XQJ | X-ray Structure of human butyrylcholinesterase inhibited by pure enantiomer VX-(R) | x-ray diffraction | A | — | — |
| 2XQJ | X-ray structure of human butyrylcholinesterase inhibited by pure enantiomer vx-(R) | x-ray diffraction | A | — | — |
| 2XQK | X-ray Structure of human butyrylcholinesterase inhibited by pure enantiomer VX-(S) | x-ray diffraction | A | — | — |
| 2XQK | X-ray structure of human butyrylcholinesterase inhibited by pure enantiomer vx-(S) | x-ray diffraction | A | — | — |
| 2Y1K | Structure of human butyrylcholinesterase inhibited by cbdp (12H soak): phosphoserine adduct | x-ray diffraction | A | — | — |
| 2Y1K | Structure of human butyrylcholinesterase inhibited by cbdp (12H soak): phosphoserine adduct | x-ray diffraction | A | — | — |
| 3DJY | Nonaged Form of Human Butyrylcholinesterase Inhibited by Tabun | x-ray diffraction | A | — | — |
| 3DJY | Nonaged form of human butyrylcholinesterase inhibited by tabun | x-ray diffraction | A | — | — |
| 3DKK | Aged Form of Human Butyrylcholinesterase Inhibited by Tabun | x-ray diffraction | A | — | — |
| 3DKK | Aged form of human butyrylcholinesterase inhibited by tabun | x-ray diffraction | A | — | — |
| 3O9M | Co-crystallization studies of full length recombinant BChE with cocaine offers insights into… | x-ray diffraction | A, B | — | — |
| 3O9M | Co-crystallization studies of full length recombinant bche with cocaine offers insights into… | x-ray diffraction | A, B | — | — |
| 4AQD | Crystal structure of fully glycosylated human butyrylcholinesterase | x-ray diffraction | A, B | — | — |
| 4AQD | Crystal structure of fully glycosylated human butyrylcholinesterase | x-ray diffraction | A, B | — | — |
68 records more on the page itself.
Ligands
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 48 records
- SO4 · Sulfate ion · in 36 records
- FUC · alpha-L-fucopyranose · in 35 records
- CL · Chloride ion · in 20 records
- FUL · beta-L-fucopyranose · in 10 records
- SIA · N-acetyl-alpha-neuraminic acid · in 7 records
- 1PG · 2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol · in 2 records
- 92H · ~{N}-[[(3~{R})-1-(2,3-dihydro-1~{H}-inden-2-yl) piperidin-3-yl]methyl]-~{N}-[2-(dimethylamino) ethyl]naphthalene-2-carboxamide · in 2 records
- A87 · 3-[2-[butyl(2-cycloheptylethyl)amino]ethyl]-1~{H}-indol-6-ol · in 2 records
- BR · Bromide ion · in 2 records
- BY2 · [3-[(1~{R})-1-(dimethylamino)ethyl]-4-oxidanyl-phenyl] ~{N}-ethyl-~{N}-methyl-carbamate · in 2 records
- CWQ · 2-[[(3~{R})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-3-yl]methyl-(8-oxidanylquinolin-2-yl)carbonyl-amino]ethyl-dimethyl-azanium · in 2 records
- HUZ · (2~{S})-2-(butylamino)-~{N}-[2-[4-(dimethylamino) cyclohexyl]ethyl]-3-(1~{H}-indol-3-yl)propanamide · in 2 records
- JU5 · ~{N}-[[(3~{S})-1-[[2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]methyl]-~{N}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide · in 2 records
- MXB · (R,E)-2-(hydroxyimino)-N-(3-(4-((2-methyl-1H-imidazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl)-1-phenylpropyl) acetamide · in 2 records
- NA · Sodium ion · in 2 records
- S8K · ~{tert}-butyl (3~{S})-3-[[2-[1-(phenylsulfonyl)indol-4-yl]oxyethylamino]methyl]piperidine-1-carboxylate · in 2 records
- TGY · 1-deoxy-alpha-D-tagatopyranose · in 2 records
- 5HB · N-{[(3R)-1-benzylpiperidin-3-yl]methyl}-N-methylnaphthalene-2-sulfonamide · in 1 record
- 5HF · N-{[(3S)-1-benzylpiperidin-3-yl]methyl}-N-(2-methoxyethyl)naphthalene-2-sulfonamide · in 1 record
- 5HH · N-{[(3R)-1-benzylpiperidin-3-yl]methyl}naphthalene-2-sulfonamide · in 1 record
- 6QS · [(2~{R})-oxolan-2-yl]methyl 4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1~{H}-quinoline-3-carboxylate · in 1 record
- 6YC · ~{N}-(2-methoxyethyl)-~{N}-[[(3~{S})-1-prop-2-ynylpiperidin-3-yl]methyl]naphthalene-2-carboxamide · in 1 record
- 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 1 record
- 8UW · N-[(2R)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-3,3-diphenyl-propanamide · in 1 record
- BUW · R-ethopropazine · in 1 record
- CO3 · Carbonate ion · in 1 record
- DME · Decamethonium ion · in 1 record
- GOA · Glycolic acid · in 1 record
- GZ5 · (2~{R})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide · in 1 record
Experiment against prediction
- 7BO3 chain A against the predicted model P06276: TM-score 1.00, RMSD 0.43 Å
- 8QTX chain A against the predicted model P06276: TM-score 1.00, RMSD 0.43 Å
- 6QAA chain A against the predicted model P06276: TM-score 1.00, RMSD 0.44 Å
- 1XLU chain A against the predicted model P06276: TM-score 1.00, RMSD 0.45 Å
- 1XLU chain A against the predicted model P06276: TM-score 1.00, RMSD 0.45 Å
- 2WIG chain A against the predicted model P06276: TM-score 1.00, RMSD 0.45 Å
- 2WIG chain A against the predicted model P06276: TM-score 1.00, RMSD 0.45 Å
- 1XLW chain A against the predicted model P06276: TM-score 1.00, RMSD 0.45 Å
- 1XLW chain A against the predicted model P06276: TM-score 1.00, RMSD 0.45 Å
- 1P0I chain A against the predicted model P06276: TM-score 1.00, RMSD 0.45 Å
Elsewhere
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