MolNFT v1 · #122299 · protein
Crystal structure of the alpha-esterase-7 carboxyl esterase (dimer), E3, from lucilia cuprina
5IKX · Carboxylic ester hydrolase: “Crystal structure of the alpha-esterase-7 carboxyl esterase (dimer), E3, from lucilia cuprina”. X-ray diffraction, 9 pockets (best druggability 0.79). MolNFT v1 #122299 on GenesisL1: 3D structure…
- PDB
- 5IKX
- Type
- protein
- Length
- 1,138 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carboxylic ester hydrolase
- EC
- 3.1.1.-
- UniProt
- Q25252
- Pockets
- 9 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Carboxylic ester hydrolase (EC 3.1.1.-) | protein | 569 | 37% helix, 16% strand | Q25252 |
Pockets
9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 756 | 0.79 | 0.83 | 54 | empty |
| 2 | 637 | 0.79 | 0.84 | 50 | empty |
| 3 | 928 | 0.76 | 0.79 | 78 | empty |
| 4 | 372 | 0.67 | 0.80 | 49 | empty |
| 5 | 267 | 0.66 | 0.82 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 587 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 5IKX · Crystal structure of the alpha-esterase-7 carboxyl esterase (dimer), E3, from Lucilia… · the same entry in another collection · 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 Q25252
- Elsewhere: RCSB PDB 5IKX · PDBe 5IKX · UniProt Q25252
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