MolNFT v1 · #185299 · protein

Crystal structure of the vim-2 acquired metallo-beta-lactamase in complex with compound 28 (jmv-7038)

7PP0 · Metallo-beta-lactamase vim-2-like protein: “Crystal structure of the vim-2 acquired metallo-beta-lactamase in complex with compound 28 (jmv-7038)”. X-ray diffraction, 2 ligands (7ZN, ZN), 1 pocket (best druggability 0.52). MolNFT v1…

PDB: 7PP0
Type: protein
Length: 233 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Metallo-beta-lactamase vim-2-like protein
UniProt: B8QIQ9
Ligands: 7ZN, ZN
Pockets: 1 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Metallo-beta-lactamase vim-2-like protein	protein	233	27% helix, 28% strand	B8QIQ9

Ligands and binding sites

7ZN · 2-[2-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethyl]benzoic acid · ligand · chains A
ZN · Zinc ion · metal · 3 copies · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	173	0.52	0.78	21	7ZN

Compared structures

7PP0 · Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound… · 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 B8QIQ9
Elsewhere: RCSB PDB 7PP0 · PDBe 7PP0 · UniProt B8QIQ9

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