› 2x2p

X-ray diffraction
1.15Å resolution

The flavoprotein NrdI from Bacillus cereus with the initially semiquinone FMN cofactor in an intermediate radiation reduced state

Released:
DOI: 10.2210/pdb2x2p/pdb
PDB entry 2x2p coloured by chain, front view.
PDB entry 2x2p coloured by chain, side view.
PDB entry 2x2p coloured by chain, top view.
Source organism: Bacillus cereus ATCC 14579
Primary publication:
Tracking flavin conformations in protein crystal structures with Raman spectroscopy and QM/MM calculations.
Røhr AK, Hersleth HP, Andersson KK
Angew Chem Int Ed Engl 49 2324-7 (2010)
PMID: 20187055

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-182528 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protein NrdI Chain: A
Molecule details ›
Chain: A
Length: 119 amino acids
Theoretical weight: 13.54 KDa
Source organism: Bacillus cereus ATCC 14579
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q81G57 (Residues: 1-119; Coverage: 100%)
Gene names: BC_1353, nrdI
Sequence domains: NrdI Flavodoxin like
Structure domains: Rossmann fold

Ligands and Environments

3 bound ligands:
Ligand FMN 1 x FMN
Ligand ZN 4 x ZN
Ligand CAC 1 x CAC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM1A
Spacegroup: P212121
Unit cell:
a: 42.955Å b: 45.485Å c: 56.2Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.153 not available 0.191
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

Photoenzymatic Decarboxylation to Produce Hydrocarbon Fuels: A Critical Review.
Sui et al. (2023)
32 other articles

4 mentions without citation

The dimanganese(II) site of Bacillus subtilis class Ib ribonucleotide reductase.
Boal et al. (2012)
3 more