Crystal structure of the zinc carbapenemase cpha in complex with the antibiotic biapenem

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 25% strand (DSSP).

Ligands and binding sites

• BMH · 5H-pyrazolo(1,2-a)(1,2,4)triazol-4-ium, 6-((2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-6,7-dihydro-, hydroxide, inner salt, (4R-(4alpha,5beta,6beta(r*)))- · ligand · chains A
• ZN · Zinc ion · metal · chains A
• SO4 · Sulfate ion · ion · 6 copies · chains A
• GOL · Glycerol · additive · 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.

Compared structures

• 1X8I · Crystal Structure of the Zinc Carbapenemase CphA in Complex with the Antibiotic Biapenem · the same entry in another collection · chain A against A, TM-score 1.00
• P26918 · AlphaFold monomer V2.0 prediction for metallo-beta-lactamase type 2 (P26918) · a predicted model of the same protein · 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 P26918
• Elsewhere: RCSB PDB 1X8I · PDBe 1X8I · UniProt P26918