MolNFT v1 · #53344 · protein
Crystal structure of the mono-zinc metallo-beta-lactamase vim-4 from pseudomonas aeruginosa
2WRS: “Crystal structure of the mono-zinc metallo-beta-lactamase vim-4 from pseudomonas aeruginosa”. X-ray diffraction, 1 ligand (ZN), 2 pockets (best druggability 0.72). MolNFT v1 #53344 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2WRS
- Type
- protein
- Length
- 460 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase vim-4
- EC
- 3.5.2.6
- UniProt
- Q70E11
- Ligands
- ZN
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Beta-lactamase vim-4 (EC 3.5.2.6) | protein | 230 | 26% helix, 29% strand | Q70E11 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
- FLC · Citrate anion · additive · 2 copies · chains A, B
- CIT · Citric acid · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 454 | 0.72 | 0.82 | 61 | ZN, FLC |
| 2 | 80 | 0.37 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 627 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (additive adduct).
Compared structures
- 2WRS · Crystal Structure of the Mono-Zinc Metallo-beta-lactamase VIM-4 from Pseudomonas… · 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 Q70E11
- Elsewhere: RCSB PDB 2WRS · PDBe 2WRS · UniProt Q70E11
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