› 2ifa

X-ray diffraction
2.3Å resolution

Crystal Structure of the PUTATIVE NITROREDUCTASE (SMU.260) IN COMPLEX WITH FMN FROM STREPTOCOCCUS MUTANS, NORTHEAST STRUCTURAL GENOMICS TARGET SMR5.

Released:
DOI: 10.2210/pdb2ifa/pdb
PDB entry 2ifa coloured by chain, front view.
PDB entry 2ifa coloured by chain, side view.
PDB entry 2ifa coloured by chain, top view.
Source organism: Streptococcus mutans UA159
Entry authors: Forouhar F, Chen Y, Xiao R, Ma LC, Byler T, Acton TB, Montelione GT, Tong L, Hunt JF, Northeast Structural Genomics Consortium (NESG)

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-184253 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nitroreductase domain-containing protein Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 208 amino acids
Theoretical weight: 23.66 KDa
Source organism: Streptococcus mutans UA159
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8DW21 (Residues: 1-200; Coverage: 100%)
Gene name: SMU_260
Sequence domains: Nitroreductase family
Structure domains: NADH Oxidase

Ligands and Environments

1 bound ligand:
Ligand FMN 6 x FMN
1 modified residue:
Ligand MSE 24 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X4A
Spacegroup: P21
Unit cell:
a: 109.435Å b: 60.871Å c: 109.155Å
α: 90° β: 117.83° γ: 90°
R-values:
R R work R free
0.22 0.218 0.273
Expression system: Escherichia coli

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