UniProt Q9L9D7
Cocaine esterase (Q9L9D7)
Cocaine esterase (UniProt Q9L9D7), EC 3.1.1.84: 31 experimental structures and 1 predicted model on GenesisL1, 2 ligands bound, 8 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q9L9D7
- Protein
- Cocaine esterase
- EC
- 3.1.1.84
- Experimental structures
- 31
- Predicted models
- 1
- Ligands
- 2
- Pockets
- 8 · 2 records with a druggable one
Structures
32 records of Q9L9D7 in the MolNFT archive: 31 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1JU3 | Bacterial cocaine esterase complex with transition state analog | x-ray diffraction | A | — | — |
| 1JU3 | Bacterial cocaine esterase complex with transition state analog | x-ray diffraction | A | — | — |
| 1JU4 | Bacterial cocaine esterase complex with product | x-ray diffraction | A | — | — |
| 1JU4 | Bacterial cocaine esterase complex with product | x-ray diffraction | A | — | — |
| 1L7Q | Ser117Ala Mutant of Bacterial Cocaine Esterase cocE | x-ray diffraction | A | — | — |
| 1L7Q | SER117ALA mutant of bacterial cocaine esterase coce | x-ray diffraction | A | — | — |
| 1L7R | Tyr44Phe Mutant of Bacterial Cocaine Esterase cocE | x-ray diffraction | A | — | — |
| 1L7R | TYR44PHE mutant of bacterial cocaine esterase coce | x-ray diffraction | A | — | — |
| 3I2F | Cocaine Esterase with mutations T172R / G173Q, bound to DTT adduct | x-ray diffraction | A | — | — |
| 3I2F | Cocaine esterase with mutations T172R / G173Q, bound to dtt adduct | x-ray diffraction | A | — | — |
| 3I2G | Cocaine Esterase with mutation G173Q, bound to DTT adduct | x-ray diffraction | A | — | — |
| 3I2G | Cocaine esterase with mutation G173Q, bound to dtt adduct | x-ray diffraction | A | — | — |
| 3I2H | Cocaine Esterase with mutation L169K, bound to DTT adduct | x-ray diffraction | A | — | — |
| 3I2H | Cocaine esterase with mutation L169K, bound to dtt adduct | x-ray diffraction | A | — | — |
| 3I2I | Cocaine Esterase with mutation T172R, bound to DTT adduct | x-ray diffraction | A | — | — |
| 3I2I | Cocaine esterase with mutation T172R, bound to dtt adduct | x-ray diffraction | A | — | — |
| 3I2J | Cocaine Esterase, wild type, without a ligand | x-ray diffraction | A | — | — |
| 3I2J | Cocaine esterase, wild type, without a ligand | x-ray diffraction | A | — | — |
| 3I2K | Cocaine Esterase, wild type, bound to a DTT adduct | x-ray diffraction | A | — | — |
| 3I2K | Cocaine esterase, wild type, bound to a dtt adduct | x-ray diffraction | A | — | — |
| 3IDA | Thermostable Cocaine Esterase with mutations L169K and G173Q, bound to DTT adduct | x-ray diffraction | A | — | — |
| 3IDA | Thermostable cocaine esterase with mutations L169K and G173Q, bound to dtt adduct | x-ray diffraction | A | — | — |
| 3PUH | Cocaine Esterase, wild-type biologically active dimer | x-ray diffraction | A, B | — | — |
| 3PUH | Cocaine esterase, wild-type biologically active dimer | x-ray diffraction | A, B | — | — |
| 3PUI | Cocaine Esterase with mutations G4C, S10C | x-ray diffraction | A | — | — |
| 3PUI | Cocaine esterase with mutations G4C, S10C | x-ray diffraction | A | — | — |
| 4P08 | Engineered thermostable dimeric cocaine esterase | x-ray diffraction | A | — | — |
| 4P08 | Engineered thermostable dimeric cocaine esterase | x-ray diffraction | A | — | — |
| 7F65 | Bacetrial Cocaine Esterase with mutations T172R/G173Q/V116K/S117A/A51L, bound to benzoic acid | x-ray diffraction | A | SO4, BEZ | 4 (best 0.64) |
| 7F65 | Bacetrial cocaine esterase with mutations T172R/G173Q/V116K/S117A/A51L, bound to benzoic acid | x-ray diffraction | A | SO4, BEZ | — |
| 9K48 | Bacetrial Cocaine Esterase with mutations T172R/G173Q/V116K/S117A/A51K | x-ray diffraction | A | BEZ | 4 (best 0.63) |
| Q9L9D7 | AlphaFold monomer V2.0 prediction for cocaine esterase (Q9L9D7) | predicted | A | — | — |
Ligands
Experiment against prediction
- 3I2I chain A against the predicted model Q9L9D7: TM-score 1.00, RMSD 0.24 Å
- 3I2I chain A against the predicted model Q9L9D7: TM-score 1.00, RMSD 0.24 Å
- 1JU3 chain A against the predicted model Q9L9D7: TM-score 1.00, RMSD 0.24 Å
- 1JU3 chain A against the predicted model Q9L9D7: TM-score 1.00, RMSD 0.24 Å
- 1L7R chain A against the predicted model Q9L9D7: TM-score 1.00, RMSD 0.24 Å
- 1L7R chain A against the predicted model Q9L9D7: TM-score 1.00, RMSD 0.24 Å
- 1L7Q chain A against the predicted model Q9L9D7: TM-score 1.00, RMSD 0.28 Å
- 1L7Q chain A against the predicted model Q9L9D7: TM-score 1.00, RMSD 0.28 Å
- 3I2F chain A against the predicted model Q9L9D7: TM-score 1.00, RMSD 0.30 Å
- 3I2F chain A against the predicted model Q9L9D7: TM-score 1.00, RMSD 0.30 Å
Elsewhere
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