› 6z22

X-ray diffraction
1.4Å resolution

Crystal structure of deacylation mutant KPC-4 (E166Q)

Released:
DOI: 10.2210/pdb6z22/pdb
PDB entry 6z22 coloured by chain, front view.
PDB entry 6z22 coloured by chain, side view.
PDB entry 6z22 coloured by chain, top view.
Source organism: Klebsiella pneumoniae
Primary publication:
Natural variants modify Klebsiella pneumoniae carbapenemase (KPC) acyl-enzyme conformational dynamics to extend antibiotic resistance.
Tooke CL, Hinchliffe P, Bonomo RA, Schofield CJ, Mulholland AJ, Spencer J
OpenAccess logo J Biol Chem 296 100126
PMID: 33257320

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-2 Chain: A
Molecule details ›
Chain: A
Length: 290 amino acids
Theoretical weight: 30.82 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9F663 (Residues: 25-293; Coverage: 100%)
Gene names: KPC-1, KPC-2, bla, kpc, kpc1
Sequence domains:

Ligands and Environments

2 bound ligands:
Ligand SO4 4 x SO4
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P21212
Unit cell:
a: 60.197Å b: 78.941Å c: 55.981Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.142 0.14 0.176
Expression system: Escherichia coli BL21(DE3)

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Citations

6 review citations

Klebsiella pneumoniae Carbapenemase Variants Resistant to Ceftazidime-Avibactam: an Evolutionary Overview.
Hobson et al. (2022)
5 more

1 mention without citation

Natural variants modify Klebsiella pneumoniae carbapenemase (KPC) acyl-enzyme conformational dynamics to extend antibiotic resistance.
Tooke et al. (2021)