› 1nfr

X-ray diffraction
2.1Å resolution

Rv2002 gene product from Mycobacterium tuberculosis

Released:
DOI: 10.2210/pdb1nfr/pdb
PDB entry 1nfr coloured by chain, front view.
PDB entry 1nfr coloured by chain, side view.
PDB entry 1nfr coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Directed evolution approach to a structural genomics project: Rv2002 from Mycobacterium tuberculosis.
Yang JK, Park MS, Waldo GS, Suh SW
Proc Natl Acad Sci U S A 100 455-60 (2003)
PMID: 12524453

Function and Biology Details

Reaction catalysed: 
Androstan-3-alpha,17-beta-diol + NAD(+) = 17-beta-hydroxyandrostan-3-one + NADH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161513 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 260 amino acids
Theoretical weight: 27.34 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WGT1 (Residues: 1-260; Coverage: 100%)
Gene names: MTCY39.16c, Rv2002, fabG3
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAD 4 x NAD
No bound ligands
1 modified residue:
Ligand MSE 20 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE BL-18B
Spacegroup: I4
Unit cell:
a: 120.02Å b: 120.02Å c: 140.002Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.203 0.203 0.236
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Laboratory-directed protein evolution.
Yuan et al. (2005)
3 more

3 mentions without citation

A unified statistical model to support local sequence order independent similarity searching for ligand-binding sites and its application to genome-based drug discovery.
Xie et al. (2009)
2 more