› 3tfu

X-ray diffraction
1.94Å resolution

Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, post-reaction complex with a 3,6-dihydropyrid-2-one heterocycle inhibitor

Released:
DOI: 10.2210/pdb3tfu/pdb
PDB entry 3tfu coloured by chain, front view.
PDB entry 3tfu coloured by chain, side view.
PDB entry 3tfu coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Mechanism-based inactivation by aromatization of the transaminase BioA involved in biotin biosynthesis in Mycobaterium tuberculosis.
Shi C, Geders TW, Park SW, Wilson DJ, Boshoff HI, Abayomi O, Barry CE, Schnappinger D, Finzel BC, Aldrich CC
J Am Chem Soc 133 18194-201 (2011)
PMID: 21988601

Function and Biology Details

Reaction catalysed: 
S-adenosyl-L-methionine + 8-amino-7-oxononanoate = S-adenosyl-4-methylthio-2-oxobutanoate + 7,8-diaminononanoate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-162055 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Adenosylmethionine-8-amino-7-oxononanoate aminotransferase Chains: A, B
Molecule details ›
Chains: A, B
Length: 457 amino acids
Theoretical weight: 48.54 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WQ81 (Residues: 1-437; Coverage: 100%)
Gene names: MTCY336.35c, Rv1568, bioA
Sequence domains: Aminotransferase class-III
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand PL8 2 x PL8
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P212121
Unit cell:
a: 62.616Å b: 66.312Å c: 201.279Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.181 0.214
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

Mycobacterium tuberculosis metabolism.
Warner DF. (2014)
3 more

4 mentions without citation

Drug Discovery for Mycobacterium tuberculosis Using Structure-Based Computer-Aided Drug Design Approach.
Ejalonibu et al. (2021)
3 more