› 7s0v

X-ray diffraction
1.95Å resolution

The role of an Asp-Asp pair in the structure, function and inhibition of CTX-M Class A Beta-lactamase

Released:
DOI: 10.2210/pdb7s0v/pdb
PDB entry 7s0v coloured by chain, front view.
PDB entry 7s0v coloured by chain, side view.
PDB entry 7s0v coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Mutation of the conserved Asp-Asp pair impairs the structure, function, and inhibition of CTX-M Class A β-lactamase.
Kemp MT, Nichols DA, Zhang X, Defrees K, Na I, Renslo AR, Chen Y
FEBS Lett 595 2981-2994 (2021)
PMID: 34704263

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 Chain: A
Molecule details ›
Chain: A
Length: 263 amino acids
Theoretical weight: 28 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
UniProt:
  • Canonical: Q9L5C7 (Residues: 29-291; 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, 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, blatoho-3, pCT_085, pHK01_011
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand J1X 1 x J1X
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: P3221
Unit cell:
a: 41.62Å b: 41.62Å c: 231.162Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.196 0.189 0.259
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'

Quick links

Citations

1 review citation

Toward physics-based precision medicine: Exploiting protein dynamics to design new therapeutics and interpret variants.
Meller et al. (2024)
1 other article

1 mention without citation

Mutation of the conserved Asp-Asp pair impairs the structure, function, and inhibition of CTX-M Class A β-lactamase.
Kemp et al. (2021)