3k6h

X-ray diffraction
3.05Å resolution

Crystal structure of a nitroreductase family protein from Agrobacterium tumefaciens str. C58

Released:
Entry authors: Tan K, Xu X, Cui H, Savchenko A, Edwards A, Joachimiak A, Midwest Center for Structural Genomics (MCSG)

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nitroreductase domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 197 amino acids
Theoretical weight: 22.08 KDa
Source organism: Agrobacterium fabrum str. C58
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: A9CIP6 (Residues: 1-193; Coverage: 100%)
Gene name: Atu1744
Sequence domains: Nitroreductase family
Structure domains: NADH Oxidase

Ligands and Environments

2 bound ligands:

1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: I422
Unit cell:
a: 127.47Å b: 127.47Å c: 150.983Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.194 0.192 0.247
Expression system: Escherichia coli BL21