Shv-1 beta-lactamase complex with LP06

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).

Ligands and binding sites

• MA4 · Cyclohexyl-hexyl-beta-D-maltoside · ligand · 2 copies · chains A
• CB4 · Pinacol[[2-amino-alpha-(1-carboxy-1-methylethoxyimino)-4-thiazoleacetyl]amino]methaneboronate · ligand · chains A
• CZ6 · 2-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-oxidanylidene-2-[[(6~{S})-4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl]methylamino]ethylidene]amino]oxy-2-methyl-propanoic acid · ligand · 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, 1 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 1 covalent, 1 disulfide (covalent ligand, disulfide).

Compared structures

• 3MKE · SHV-1 beta-lactamase complex with LP06 · the same entry in another collection · chain A against A, TM-score 1.00
• P0AD64 · AlphaFold monomer V2.0 prediction for beta-lactamase shv-1 (P0AD64) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P0AD64
• Elsewhere: RCSB PDB 3MKE · PDBe 3MKE · UniProt P0AD64