› 1zj9

X-ray diffraction
2.9Å resolution

Structure of Mycobacterium tuberculosis NirA protein

Released:
DOI: 10.2210/pdb1zj9/pdb
PDB entry 1zj9 coloured by chain, front view.
PDB entry 1zj9 coloured by chain, side view.
PDB entry 1zj9 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Siroheme- and [Fe4-S4]-dependent NirA from Mycobacterium tuberculosis is a sulfite reductase with a covalent Cys-Tyr bond in the active site.
Schnell R, Sandalova T, Hellman U, Lindqvist Y, Schneider G
J Biol Chem 280 27319-28 (2005)
PMID: 15917234

Function and Biology Details

Reaction catalysed: 
Hydrogen sulfide + 6 oxidized ferredoxin [iron-sulfur] cluster + 3 H(2)O = sulfite + 6 reduced ferredoxin [iron-sulfur] cluster + 6 H(+)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161668 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Sulfite reductase [ferredoxin] Chains: A, B
Molecule details ›
Chains: A, B
Length: 566 amino acids
Theoretical weight: 63.49 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WJ03 (Residues: 3-555; Coverage: 100%)
Gene names: Rv2391, nirA, sir
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand SRM 2 x SRM
2 bound ligands:
Ligand CL 2 x CL
Ligand SF4 2 x SF4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P21
Unit cell:
a: 59.983Å b: 83.307Å c: 108.801Å
α: 90° β: 102.22° γ: 90°
R-values:
R R work R free
0.206 0.202 0.28
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

6 review citations

Drug targets in mycobacterial sulfur metabolism.
Bhave et al. (2007)
5 more

3 mentions without citation

Comparative Genome and Network Centrality Analysis to Identify Drug Targets of Mycobacterium tuberculosis H37Rv.
Melak et al. (2015)
2 more