› 5toy

X-ray diffraction
1.3Å resolution

X-Ray Crystal Structure of Ruthenocene Conjugated Penicilloate and Penilloate Products in Complex with CTX-M-14 E166A Beta-Lactamase

Released:
DOI: 10.2210/pdb5toy/pdb
PDB entry 5toy coloured by chain, front view.
PDB entry 5toy coloured by chain, side view.
PDB entry 5toy coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Mechanisms of proton relay and product release by Class A β-lactamase at ultrahigh resolution.
Lewandowski EM, Lethbridge KG, Sanishvili R, Skiba J, Kowalski K, Chen Y
FEBS J 285 87-100 (2018)
PMID: 29095570

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
Macromolecules (2 distinct):
Beta-lactamase Chains: A, B
Molecule details ›
Chains: A, B
Length: 263 amino acids
Theoretical weight: 27.94 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
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:
Structure domains: DD-peptidase/beta-lactamase superfamily

Ligands and Environments

Carbohydrate polymer : NEW Components: GLC, FRU
Carbohydrate polymer
5 bound ligands:
Ligand K 2 x K
Ligand PO4 4 x PO4
Ligand JSC 2 x JSC
Ligand JSD 2 x JSD
Ligand RU 1 x RU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P21
Unit cell:
a: 45.012Å b: 106.787Å c: 47.759Å
α: 90° β: 101.76° γ: 90°
R-values:
R R work R free
0.144 0.142 0.163
Expression system: Escherichia coli

Quick links

Citations

7 citation in other articles

Mechanism of proton transfer in class A β-lactamase catalysis and inhibition by avibactam.
Pemberton et al. (2020)
6 more

1 mention without citation

Mechanisms of proton relay and product release by Class A β-lactamase at ultrahigh resolution.
Lewandowski et al. (2018)