› 3mxr

X-ray diffraction
1.3Å resolution

SHV-1 beta-lactamase complex with compound 1

Released:
DOI: 10.2210/pdb3mxr/pdb
PDB entry 3mxr coloured by chain, front view.
PDB entry 3mxr coloured by chain, side view.
PDB entry 3mxr coloured by chain, top view.
Source organism: Klebsiella pneumoniae
Primary publication:
Novel insights into the mode of inhibition of class A SHV-1 beta-lactamases revealed by boronic acid transition state inhibitors.
Ke W, Sampson JM, Ori C, Prati F, Drawz SM, Bethel CR, Bonomo RA, van den Akker F
Antimicrob Agents Chemother 55 174-83 (2011)
PMID: 21041505

Function and Biology Details

Reaction catalysed: 
A beta-lactam + H(2)O = a substituted beta-amino acid
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-142332 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase SHV-1 Chain: A
Molecule details ›
Chain: A
Length: 265 amino acids
Theoretical weight: 28.91 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli
UniProt:
  • Canonical: P0AD64 (Residues: 22-286; Coverage: 100%)
Gene names: bla, blaSHV-1, shv1
Sequence domains:
Structure domains: DD-peptidase/beta-lactamase superfamily

Ligands and Environments

2 bound ligands:
Ligand CZ8 1 x CZ8
Ligand MA4 2 x MA4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P212121
Unit cell:
a: 49.587Å b: 55.639Å c: 83.036Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.186 0.203
Expression system: Escherichia coli

Quick links

Citations

3 review citations

New β-lactamase inhibitors: a therapeutic renaissance in an MDR world.
Drawz et al. (2014)
2 more

2 mentions without citation

Novel insights into the mode of inhibition of class A SHV-1 beta-lactamases revealed by boronic acid transition state inhibitors.
Ke et al. (2011)
1 more