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X-ray diffraction
1.68Å resolution

Crystal structure of FMN-binding protein (NP_142786.1) from Pyrococcus horikoshii with bound benzene-1,4-diol

Released:
DOI: 10.2210/pdb3zod/pdb
PDB entry 3zod coloured by chain, front view.
PDB entry 3zod coloured by chain, side view.
PDB entry 3zod coloured by chain, top view.
Source organism: Pyrococcus horikoshii
Primary publication:
Identification of promiscuous ene-reductase activity by mining structural databases using active site constellations.
Steinkellner G, Gruber CC, Pavkov-Keller T, Binter A, Steiner K, Winkler C, Lyskowski A, Schwamberger O, Oberer M, Schwab H, Faber K, Macheroux P, Gruber K
OpenAccess logo Nat Commun 5 4150 (2014)
PMID: 24954722

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-129744 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
FMN-BINDING PROTEIN Chain: A
Molecule details ›
Chain: A
Length: 191 amino acids
Theoretical weight: 21.69 KDa
Source organism: Pyrococcus horikoshii
Expression system: Escherichia coli
UniProt:
  • Canonical: O58586 (Residues: 1-172; Coverage: 100%)
Gene name: PH0856
Sequence domains: Flavin reductase like domain
Structure domains: Electron Transport, Fmn-binding Protein; Chain A

Ligands and Environments

2 bound ligands:
Ligand FMN 1 x FMN
Ligand HQE 1 x HQE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: P6122
Unit cell:
a: 46.395Å b: 46.395Å c: 269.637Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.215 0.213 0.249
Expression system: Escherichia coli

Quick links

Citations

5 review citations

A roadmap for biocatalysis - functional and spatial orchestration of enzyme cascades.
Schmidt-Dannert et al. (2016)
4 more

1 mention without citation

Identification of promiscuous ene-reductase activity by mining structural databases using active site constellations.
Steinkellner et al. (2014)