› 3rxx

X-ray diffraction
1.62Å resolution

KPC-2 carbapenemase in complex with 3-NPBA

Released:
DOI: 10.2210/pdb3rxx/pdb
PDB entry 3rxx coloured by chain, front view.
PDB entry 3rxx coloured by chain, side view.
PDB entry 3rxx coloured by chain, top view.
Source organism: Klebsiella pneumoniae
Primary publication:
Crystal structures of KPC-2 β-lactamase in complex with 3-nitrophenyl boronic acid and the penam sulfone PSR-3-226.
Ke W, Bethel CR, Papp-Wallace KM, Pagadala SR, Nottingham M, Fernandez D, Buynak JD, Bonomo RA, van den Akker F
Antimicrob Agents Chemother 56 2713-8 (2012)
PMID: 22330909

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-190259 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbapenem-hydrolyzing beta-lactamase KPC Chain: A
Molecule details ›
Chain: A
Length: 264 amino acids
Theoretical weight: 27.99 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q9F663 (Residues: 26-289; Coverage: 98%)
Gene names: bla, kpc, kpc1
Sequence domains:
Structure domains: DD-peptidase/beta-lactamase superfamily

Ligands and Environments

1 bound ligand:
Ligand NPB 1 x NPB
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: P212121
Unit cell:
a: 50.348Å b: 66.558Å c: 73.598Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.162 0.16 0.192
Expression system: Escherichia coli BL21

Quick links

Citations

5 review citations

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

10 mentions without citation

Structural and Functional Aspects of Class A Carbapenemases.
Naas et al. (2016)
9 more