› 3k6h

X-ray diffraction
3.05Å resolution

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

Released:
DOI: 10.2210/pdb3k6h/pdb
PDB entry 3k6h coloured by chain, front view.
PDB entry 3k6h coloured by chain, side view.
PDB entry 3k6h coloured by chain, top view.
Source organism: Agrobacterium fabrum str. C58
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:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-108907 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Putative NAD(P)H nitroreductase 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:
Ligand SO4 7 x SO4
Ligand FMN 2 x FMN
1 modified residue:
Ligand MSE 6 x MSE

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

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