MolNFT v1 · #99800 · protein
Crystal structure of the cif epoxide hydrolase from acinetobacter nosocomialis
4MEA · Predicted protein: “Crystal structure of the cif epoxide hydrolase from acinetobacter nosocomialis”. X-ray diffraction, 6 pockets (best druggability 0.66). MolNFT v1 #99800 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4MEA
- Type
- protein
- Length
- 647 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Predicted protein
- UniProt
- D0BWK6
- Pockets
- 6 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Predicted protein | protein | 324 | 47% helix, 18% strand | D0BWK6 |
| B | Predicted protein | protein | 323 | 47% helix, 17% strand | D0BWK6 |
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 202 | 0.66 | 0.84 | 36 | empty |
| 2 | 206 | 0.60 | 0.81 | 37 | empty |
| 3 | 63 | 0.57 | 0.89 | 21 | empty |
| 4 | 71 | 0.55 | 0.87 | 22 | empty |
| 5 | 95 | 0.33 | 0.74 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 1562 Ų buried · 28 hydrogen bonds · protein-protein
Compared structures
- 4MEA · Crystal structure of the Cif epoxide hydrolase from Acinetobacter nosocomialis · 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 D0BWK6
- Elsewhere: RCSB PDB 4MEA · PDBe 4MEA · UniProt D0BWK6
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