› 3vff

X-ray diffraction
2.78Å resolution

BlaC E166A CDC-OMe Acyl-Intermediate Complex

Released:
DOI: 10.2210/pdb3vff/pdb
PDB entry 3vff coloured by chain, front view.
PDB entry 3vff coloured by chain, side view.
PDB entry 3vff coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Entry authors: Mire JA, Sacchettini JC, TB Structural Genomics Consortium (TBSGC)

Function and Biology Details

Reaction catalysed: 
A beta-lactam + H(2)O = a substituted beta-amino acid
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161732 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 285 amino acids
Theoretical weight: 30.49 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WKD3 (Residues: 43-307; Coverage: 97%)
Gene names: MTCY49.07c, Rv2068c, blaA, blaC
Sequence domains:
Structure domains: DD-peptidase/beta-lactamase superfamily

Ligands and Environments

2 bound ligands:
Ligand CD8 4 x CD8
Ligand PO4 3 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P21
Unit cell:
a: 80.061Å b: 96.603Å c: 108.555Å
α: 90° β: 107.69° γ: 90°
R-values:
R R work R free
0.246 0.245 0.26
Expression system: Escherichia coli

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