› 5gld

X-ray diffraction
1.7Å resolution

Crystal structure of the class A beta-lactamase PenL-tTR11 in complex with CBA

Released:
DOI: 10.2210/pdb5gld/pdb
PDB entry 5gld coloured by chain, front view.
PDB entry 5gld coloured by chain, side view.
PDB entry 5gld coloured by chain, top view.
Source organism: Burkholderia thailandensis
Primary publication:
High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A β-lactamase, PenL.
Yi H, Choi JM, Hwang J, Prati F, Cao TP, Lee SH, Kim HS
Sci Rep 6 36527 (2016)
PMID: 27827433

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-174013 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase Chain: A
Molecule details ›
Chain: A
Length: 288 amino acids
Theoretical weight: 30.78 KDa
Source organism: Burkholderia thailandensis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q2T5A3 (Residues: 59-206, 207-322; Coverage: 82%)
Gene name: BTH_II1450
Sequence domains:
Structure domains: DD-peptidase/beta-lactamase superfamily

Ligands and Environments

1 bound ligand:
Ligand CB4 1 x CB4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PAL/PLS BEAMLINE 5C (4A)
Spacegroup: P21212
Unit cell:
a: 70.269Å b: 97.448Å c: 34.222Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.161 0.159 0.2
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

Predicting allostery and microbial drug resistance with molecular simulations.
Cortina et al. (2018)
6 other articles

1 mention without citation

High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A β-lactamase, PenL.
Yi et al. (2016)