MolNFT v1 · #151155 · protein

Crystal structure of the acquired vim-2 metallo-beta-lactamase in complex with ant-431 inhibitor

6HF5 · Beta-lactamase class B vim-2: “Crystal structure of the acquired vim-2 metallo-beta-lactamase in complex with ant-431 inhibitor”. X-ray diffraction, 2 ligands (G1N, ZN), 1 pocket (best druggability 0.44). MolNFT v1 #151155 on…

PDB: 6HF5
Type: protein
Length: 231 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-lactamase class B vim-2
UniProt: Q9K2N0
Ligands: G1N, ZN
Pockets: 1 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-lactamase class B vim-2	protein	231	27% helix, 29% strand	Q9K2N0

Ligands and binding sites

G1N · 5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	96	0.44	0.79	15	ZN, G1N

Compared structures

6HF5 · Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-431… · 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 Q9K2N0
Elsewhere: RCSB PDB 6HF5 · PDBe 6HF5 · UniProt Q9K2N0

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.