Research workbench
Carboxylesterase AECXE1 from actinidia eriantha covalently inhibited by paraoxon
Analyse Carboxylesterase AECXE1 from actinidia eriantha covalently inhibited by paraoxon in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2O7V
- Type
- protein
- Length
- 307 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cxe carboxylesterase
- EC
- 3.1.1.1
- UniProt
- Q0ZPV7
- Ligands
- DEP
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cxe carboxylesterase (EC 3.1.1.1) | protein | 307 | 37% helix, 22% strand | Q0ZPV7 |
Ligands and binding sites
- DEP · Diethyl phosphonate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 277 | 0.65 | 0.81 | 35 | DEP |
| 2 | 81 | 0.53 | 0.85 | 17 | empty |
| 3 | 72 | 0.28 | 0.72 | 18 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 2O7V · Carboxylesterase AeCXE1 from Actinidia eriantha covalently inhibited by paraoxon · the same entry in another collection · chain A against A, TM-score 1.00
- Q0ZPV7 · AlphaFold monomer V2.0 prediction for carboxylesterase 1 (Q0ZPV7) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q0ZPV7
- Elsewhere: RCSB PDB 2O7V · PDBe 2O7V · UniProt Q0ZPV7
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