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Vim-2_1CC-. triazole inhibitors with promising inhibitor effects against antibiotic resistance metallo-beta-lactamases

Analyse Vim-2_1CC-. triazole inhibitors with promising inhibitor effects against… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6TM9
Type: protein
Length: 230 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: 9NW, ZN, OH
Pockets: 1 · best druggability 0.57

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	230	27% helix, 29% strand	Q9K2N0

Ligands and binding sites

9NW · 2,5-bis(chloranyl)-~{N}-[[5-[(cyclohexylamino)methyl]-2~{H}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide · ligand · chains A
ZN · Zinc ion · metal · 2 copies · chains A
OH · Hydroxide ion · ion · 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	261	0.57	0.78	27	9NW, ZN, OH

Compared structures

6TM9 · VIM-2_1cc-. Triazole inhibitors with promising inhibitor effects against antibiotic… · 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 6TM9 · PDBe 6TM9 · UniProt Q9K2N0

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