Research workbench
Cocaine esterase, wild-type biologically active dimer
Analyse Cocaine esterase, wild-type biologically active dimer in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3PUH
- Type
- protein
- Length
- 1,145 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cocaine esterase
- EC
- 3.1.1.-
- UniProt
- Q9L9D7
- Ligands
- SO4
- Pockets
- 19 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 23% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cocaine esterase (EC 3.1.1.-) | protein | 571 | 23% helix, 30% strand | Q9L9D7 |
| B | Cocaine esterase (EC 3.1.1.-) | protein | 574 | 23% helix, 30% strand | Q9L9D7 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 725 | 0.77 | 0.81 | 82 | GOL |
| 2 | 267 | 0.71 | 0.85 | 33 | empty |
| 3 | 53 | 0.70 | 0.97 | 17 | empty |
| 4 | 53 | 0.69 | 0.97 | 18 | empty |
| 5 | 186 | 0.68 | 0.87 | 37 | empty |
Interfaces
1 interface between chains.
- A–B · 1254 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
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 3PUH · PDBe 3PUH · UniProt Q9L9D7
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