› 6bt6

X-ray diffraction
1.05Å resolution

CTX-M-14 S237A Beta-Lactamase in Complex with a Non-Covalent Tetrazole Inhibitor

Released:
DOI: 10.2210/pdb6bt6/pdb
Model geometry
Fit model/data
PDB entry 6bt6 coloured by chain, front view.
PDB entry 6bt6 coloured by chain, side view.
PDB entry 6bt6 coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Antibacterial Spectrum of a Tetrazole-Based Reversible Inhibitor of Serine β-Lactamases.
Pemberton OA, Zhang X, Nichols DA, DeFrees K, Jaishankar P, Bonnet R, Adams J, Shaw LN, Renslo AR, Chen Y
Antimicrob Agents Chemother 62 (2018)
PMID: 29844038

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-192210 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase Chains: A, B
Molecule details ›
Chains: A, B
Length: 263 amino acids
Theoretical weight: 27.97 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9L5C7 (Residues: 30-291; Coverage: 100%)
Gene names: BKL28_004840, BKL28_005521, BXT93_06855, CR538_26855, CTX-M-14, E4K51_21070, EIA08_25160, ETN48_p0088, HL563_21800, HL563_23665, HLZ39_20540, HLZ39_26710, IDONEFKE_05417, NY836_21775, RCS101_P0028, RCS103_P0010, RCS30_P0082, RCS56_P0085, RCS60_P0031, RCS63_P0006, RCS65_P0008, RCS66_P0053, RCS68_P0054, SAMEA4362930_00013, SAMEA4363083_00099, SAMEA4370290_00046, beta-lactamase CTX-M-14, bla, bla CTX-M-14, bla-CTX-M-14a, blaCTX-M-14, blaCTX-M-14a, blaCTX-M-14b, blaCTX-M-14c, blaCTX-M-27b, blaUOE-2, bla_2, blatoho-3, pCT_085, pHK01_011
Sequence domains:
Structure domains: DD-peptidase/beta-lactamase superfamily

Ligands and Environments

1 bound ligand:
Ligand 3GK 4 x 3GK
1 modified residue:
Ligand PCA 2 x PCA

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P21
Unit cell:
a: 45.19Å b: 107.13Å c: 47.85Å
α: 90° β: 101.52° γ: 90°
R-values:
R R work R free
0.127 0.126 0.148
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Drug Discovery in the Field of β-Lactams: An Academic Perspective.
Jacobs et al. (2024)
3 other articles

1 mention without citation

Antibacterial Spectrum of a Tetrazole-Based Reversible Inhibitor of Serine β-Lactamases.
Pemberton et al. (2018)