Research workbench
Bacetrial cocaine esterase with mutations T172R/G173Q/V116K/S117A/A51L, bound to benzoic acid
Analyse Bacetrial cocaine esterase with mutations T172R/G173Q/V116K/S117A/A51L, bound… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7F65
- Type
- protein
- Length
- 573 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cocaine esterase
- EC
- 3.1.1.84
- UniProt
- Q9L9D7
- Ligands
- BEZ, SO4
- Pockets
- 4 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 24% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cocaine esterase (EC 3.1.1.84) | protein | 573 | 24% helix, 31% strand | Q9L9D7 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 231 | 0.64 | 0.82 | 29 | BEZ |
| 2 | 82 | 0.54 | 0.85 | 17 | empty |
| 3 | 93 | 0.50 | 0.82 | 35 | empty |
| 4 | 53 | 0.30 | 0.75 | 16 | empty |
Compared structures
- 7F65 · Bacetrial Cocaine Esterase with mutations T172R/G173Q/V116K/S117A/A51L, bound to benzoic… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9L9D7 · AlphaFold monomer V2.0 prediction for cocaine esterase (Q9L9D7) · a predicted model of the same protein · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9L9D7
- Elsewhere: RCSB PDB 7F65 · PDBe 7F65 · UniProt Q9L9D7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.