› 8tmt

X-ray diffraction
1.7Å resolution

Crystal structure of KPC-44 carbapenemase in complex with vaborbactam

Released:
DOI: 10.2210/pdb8tmt/pdb
PDB entry 8tmt coloured by chain, front view.
PDB entry 8tmt coloured by chain, side view.
PDB entry 8tmt coloured by chain, top view.
Source organism: Klebsiella pneumoniae
Primary publication:
Klebsiella pneumoniae carbapenemase variant 44 (KPC-44) acquires ceftazidime-avibactam resistance by altering the conformation of active site loops.
Sun Z, Lin H, Hu L, Neetu N, Sankaran B, Wang J, Prasad BVV, Palzkill T
OpenAccess logo J Biol Chem 105493 (2023)
PMID: 38000656

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-497909 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
beta-lactamase Chain: A
Molecule details ›
Chain: A
Length: 282 amino acids
Theoretical weight: 30.04 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A4Y5JTU1 (Residues: 26-304; Coverage: 98%)
Gene name: blaKPC
Sequence domains:

Ligands and Environments

6 bound ligands:
Ligand 4D6 1 x 4D6
Ligand GOL 1 x GOL
Ligand NA 2 x NA
Ligand EDO 1 x EDO
Ligand LI 1 x LI
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: P3221
Unit cell:
a: 72.38Å b: 72.38Å c: 85.5Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.163 0.161 0.201
Expression system: Escherichia coli

Quick links

Citations

1 citations in other articles

Detection of clinical Serratia marcescens isolates carrying blaKPC-2 in a hospital in China.
Tang et al. (2024)

1 mention without citation

Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops.
Sun et al. (2024)