› 4mqq

X-ray diffraction
1.7Å resolution

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

Released:
DOI: 10.2210/pdb4mqq/pdb
PDB entry 4mqq coloured by chain, front view.
PDB entry 4mqq coloured by chain, side view.
PDB entry 4mqq 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

4 bound ligands:
Ligand EDO 4 x EDO
Ligand CL 1 x CL
Ligand 2B6 2 x 2B6
Ligand IMD 1 x IMD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 62.948Å b: 66.352Å c: 203.972Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.183 0.182 0.209
Expression system: Escherichia coli

Quick links

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)