› 3rux

X-ray diffraction
1.7Å resolution

Crystal structure of biotin-protein ligase BirA from Mycobacterium tuberculosis in complex with an acylsulfamide bisubstrate inhibitor

Released:
DOI: 10.2210/pdb3rux/pdb
PDB entry 3rux coloured by chain, front view.
PDB entry 3rux coloured by chain, side view.
PDB entry 3rux coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Bisubstrate adenylation inhibitors of biotin protein ligase from Mycobacterium tuberculosis.
Duckworth BP, Geders TW, Tiwari D, Boshoff HI, Sibbald PA, Barry CE, Schnappinger D, Finzel BC, Aldrich CC
Chem Biol 18 1432-41 (2011)
PMID: 22118677

Function and Biology Details

Reaction catalysed: 
ATP + biotin + [biotin carboxyl-carrier protein]-L-lysine = AMP + diphosphate + [biotin carboxyl-carrier protein]-N(6)-biotinyl-L-lysine
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161258 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
biotin--[biotin carboxyl-carrier protein] ligase Chains: A, B
Molecule details ›
Chains: A, B
Length: 270 amino acids
Theoretical weight: 28.53 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P96884 (Residues: 2-266; Coverage: 100%)
Gene names: MT3379, birA
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand BS5 2 x BS5
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 4.2.2
Spacegroup: P212121
Unit cell:
a: 63.882Å b: 68.802Å c: 115.755Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.19 0.216
Expression system: Escherichia coli

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Citations

11 review citations

Progress in targeting cell envelope biogenesis in Mycobacterium tuberculosis.
Jackson et al. (2013)
10 more

7 mentions without citation

Adenylating enzymes in Mycobacterium tuberculosis as drug targets.
Duckworth et al. (2012)
6 more