Structure and site-directed mutagenesis of a flavoprotein from escherichia COLI that reduces nitrocompounds. alteration of pyridine nucleotide binding by a single amino acid substitution

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 14% strand (DSSP).

Ligands and binding sites

• FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 4932 Ų buried · 80 hydrogen bonds · protein-protein

Compared structures

• 1F5V · Structure and site-directed mutagenesis of a flavoprotein from escherichia COLI that… · the same entry in another collection · chain A against A, TM-score 1.00
• P17117 · AlphaFold monomer V2.0 prediction for oxygen-insensitive NADPH nitroreductase (P17117) · a predicted model of the same protein · chain A against A, TM-score 0.96

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P17117
• Elsewhere: RCSB PDB 1F5V · PDBe 1F5V · UniProt P17117