Crystal structure of the B3 metallo-beta-lactamase L1 with hydrolysed ertapenem

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 24% strand (DSSP).

Ligands and binding sites

• 9XS · (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid · ligand · chains A
• ZN · Zinc ion · metal · 3 copies · chains A
• SO4 · Sulfate ion · ion · 2 copies · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

• 7O0O · Crystal structure of the B3 metallo-beta-lactamase L1 with hydrolysed ertapenem · the same entry in another collection · chain A against A, TM-score 1.00
• P52700 · AlphaFold monomer V2.0 prediction for metallo-beta-lactamase L1 type 3 (P52700) · 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 P52700
• Elsewhere: RCSB PDB 7O0O · PDBe 7O0O · UniProt P52700