MolNFT v1 · #91944 · protein

Crystal structure of the metallo-beta-lactamase vim-31 in its oxidized form at 1.88 a

4FSB: “Crystal structure of the metallo-beta-lactamase vim-31 in its oxidized form at 1.88 a”. X-ray diffraction, 2 ligands (ZN, CL), 3 pockets (best druggability 0.71). MolNFT v1 #91944 on GenesisL1: 3D structure, binding sites and…

PDB: 4FSB
Type: protein
Length: 464 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Metallo-beta-lactamase vim-31
UniProt: Q7BI22
Ligands: ZN, CL
Pockets: 3 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Metallo-beta-lactamase vim-31	protein	232	25% helix, 30% strand	Q7BI22

Ligands and binding sites

ZN · Zinc ion · metal · 4 copies · chains A, B
CL · Chloride ion · ion · 4 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	557	0.71	0.80	63	empty
2	98	0.43	0.78	29	empty
3	73	0.37	0.78	19	empty

Interfaces

1 interface between chains.

A–B · 518 Å² buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (oxidation).

Compared structures

4FSB · Crystal structure of the metallo-beta-lactamase VIM-31 in its oxidized form at 1.88 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 4FSB · PDBe 4FSB · UniProt Q7BI22

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