› 4w1x

X-ray diffraction
1.8Å resolution

Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 1-(4-(4-(3-chlorobenzoyl)piperazin-1-yl)phenyl)ethanone

Released:
DOI: 10.2210/pdb4w1x/pdb
PDB entry 4w1x coloured by chain, front view.
PDB entry 4w1x coloured by chain, side view.
PDB entry 4w1x coloured by chain, top view.
Source organism: Mycobacterium tuberculosis CDC1551
Primary publication:
Target-based identification of whole-cell active inhibitors of biotin biosynthesis in Mycobacterium tuberculosis.
Park SW, Casalena DE, Wilson DJ, Dai R, Nag PP, Liu F, Boyce JP, Bittker JA, Schreiber SL, Finzel BC, Schnappinger D, Aldrich CC
Chem Biol 22 76-86 (2015)
PMID: 25556942

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-162054 (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 CDC1551
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WQ80 (Residues: 1-437; Coverage: 100%)
Gene names: MT1619, bioA
Sequence domains: Aminotransferase class-III
Structure domains:

Ligands and Environments


Cofactor: Ligand PLP 2 x PLP
3 bound ligands:
Ligand EDO 3 x EDO
Ligand PEG 1 x PEG
Ligand 3G9 2 x 3G9
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 4.2.2
Spacegroup: P212121
Unit cell:
a: 62Å b: 66Å c: 204Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.199 0.198 0.227
Expression system: Escherichia coli

Quick links

Citations

14 review citations

Towards the sustainable discovery and development of new antibiotics.
Miethke et al. (2021)
13 more

2 mentions without citation

Target-based identification of whole-cell active inhibitors of biotin biosynthesis in Mycobacterium tuberculosis.
Park et al. (2015)
1 more