MolNFT v1 · #91905 · protein
Crystal structure of the metallo-beta-lactamase vim-31 in its reduced form at 1.61 a
4FR7: “Crystal structure of the metallo-beta-lactamase vim-31 in its reduced form at 1.61 a”. X-ray diffraction, 2 ligands (ZN, CL), 1 pocket (best druggability 0.48). MolNFT v1 #91905 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4FR7
- Type
- protein
- Length
- 232 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Metallo-beta-lactamase vim-31
- UniProt
- Q7BI22
- Ligands
- ZN, CL
- Pockets
- 1 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Metallo-beta-lactamase vim-31 | protein | 232 | 27% helix, 28% strand | Q7BI22 |
Ligands and binding sites
- ZN · Zinc ion · metal · 3 copies · chains A
- CL · Chloride ion · ion · chains A
- ACT · Acetate ion · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 94 | 0.48 | 0.81 | 19 | ZN |
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
- 4FR7 · Crystal structure of the metallo-beta-lactamase VIM-31 in its reduced form at 1.61 A · 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 Q7BI22
- Elsewhere: RCSB PDB 4FR7 · PDBe 4FR7 · UniProt Q7BI22
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