› 4mqp

X-ray diffraction
1.83Å resolution

Mycobaterium tuberculosis transaminase BioA complexed with 2-hydrazinylbenzo[d]thiazole

Released:
DOI: 10.2210/pdb4mqp/pdb
PDB entry 4mqp coloured by chain, front view.
PDB entry 4mqp coloured by chain, side view.
PDB entry 4mqp coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Inhibition of Mycobacterium tuberculosis transaminase BioA by aryl hydrazines and hydrazides.
Dai R, Wilson DJ, Geders TW, Aldrich CC, Finzel BC
Chembiochem 15 575-86 (2014)
PMID: 24482078

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
UniProt:
  • Canonical: P9WQ81 (Residues: 1-437; Coverage: 100%)
Gene names: MTCY336.35c, Rv1568, bioA
Sequence domains: Aminotransferase class-III
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand 2B1 2 x 2B1
Ligand EDO 3 x EDO
Ligand PEG 1 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 63.021Å b: 65.915Å c: 201.964Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.177 0.176 0.207
Expression system: Escherichia coli

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Citations

5 review citations

Type-II NADH Dehydrogenase (NDH-2): a promising therapeutic target for antitubercular and antibacterial drug discovery.
Sellamuthu et al. (2017)
4 more

1 mention without citation

Inhibition of Mycobacterium tuberculosis transaminase BioA by aryl hydrazines and hydrazides.
Dai et al. (2014)