UniProt Q869C3
Acetylcholinesterase (Q869C3)
Acetylcholinesterase (UniProt Q869C3), EC 3.1.1.7: 12 experimental structures and 1 predicted model on GenesisL1, 7 ligands bound, 58 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q869C3
- Protein
- Acetylcholinesterase
- EC
- 3.1.1.7
- Experimental structures
- 12
- Predicted models
- 1
- Ligands
- 7
- Pockets
- 58 · 4 records with a druggable one
Structures
13 records of Q869C3 in the MolNFT archive: 12 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5X61 | Crystal structure of Acetylcholinesterase Catalytic Subunit of the Malaria Vector Anopheles… | x-ray diffraction | B, A | NAG, SO4, NH4 | 13 (best 0.73) |
| 5X61 | Crystal structure of acetylcholinesterase catalytic subunit of the malaria vector anopheles… | x-ray diffraction | B, A | NAG, SO4, NH4 | — |
| 5YDH | Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector anopheles… | x-ray diffraction | A, B | NAG, SO4, CO | — |
| 5YDH | Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector anopheles… | x-ray diffraction | A, B | NAG, SO4, CO | — |
| 5YDI | Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector anopheles… | x-ray diffraction | A, B, C | NAG, NA | 20 (best 0.76) |
| 5YDI | Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector anopheles… | x-ray diffraction | A, B, C | NAG, NA | — |
| 5YDJ | Crystal structure of anopheles gambiae acetylcholinesterase in complex with PMSF | x-ray diffraction | A, B | NAG, SO4, CO | 14 (best 0.69) |
| 5YDJ | Crystal structure of anopheles gambiae acetylcholinesterase in complex with pmsf | x-ray diffraction | A, B | NAG, SO4, CO | — |
| 6ARX | Crystal structure of an insecticide-resistant acetylcholinesterase mutant from the malaria vector… | x-ray diffraction | A, B | NAG, CL | — |
| 6ARX | Crystal structure of an insecticide-resistant acetylcholinesterase mutant from the malaria vector… | x-ray diffraction | A, B | NAG, CL | — |
| 6ARY | Crystal structure of an insecticide-resistant acetylcholinesterase mutant from the malaria vector… | x-ray diffraction | A, B | BT7, NAG, CL | 11 (best 0.80) |
| 6ARY | Crystal structure of an insecticide-resistant acetylcholinesterase mutant from the malaria vector… | x-ray diffraction | A, B | BT7, NAG, CL | — |
| Q869C3 | AlphaFold monomer V2.0 prediction for acetylcholinesterase (Q869C3) | predicted | A | — | — |
Ligands
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 12 records
- SO4 · Sulfate ion · in 6 records
- CL · Chloride ion · in 4 records
- CO · Cobalt (II) ion · in 4 records
- BT7 · (1S)-2,2-difluoro-1-[1-(pentan-3-yl)-1H-pyrazol-4-yl]ethan-1-ol · in 2 records
- NA · Sodium ion · in 2 records
- NH4 · Ammonium ion · in 2 records
Experiment against prediction
- 6ARX chain B against the predicted model Q869C3: TM-score 1.00, RMSD 0.27 Å
- 6ARX chain B against the predicted model Q869C3: TM-score 1.00, RMSD 0.27 Å
- 6ARX chain A against the predicted model Q869C3: TM-score 1.00, RMSD 0.27 Å
- 6ARX chain A against the predicted model Q869C3: TM-score 1.00, RMSD 0.27 Å
- 6ARY chain B against the predicted model Q869C3: TM-score 1.00, RMSD 0.29 Å
- 6ARY chain B against the predicted model Q869C3: TM-score 1.00, RMSD 0.29 Å
- 5YDJ chain A against the predicted model Q869C3: TM-score 1.00, RMSD 0.29 Å
- 5YDJ chain A against the predicted model Q869C3: TM-score 1.00, RMSD 0.29 Å
- 6ARY chain A against the predicted model Q869C3: TM-score 1.00, RMSD 0.29 Å
- 6ARY chain A against the predicted model Q869C3: TM-score 1.00, RMSD 0.29 Å
Elsewhere
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