GL1X · GenesisL1 explorer

MolNFT v1 · #2054 · protein

NADPH:FMN oxidoreductase from vibrio harveyi

1BKJ · NADPH-flavin oxidoreductase: “NADPH:FMN oxidoreductase from vibrio harveyi”. X-ray diffraction, 2 ligands (FMN, PO4), 2 pockets (best druggability 0.64). MolNFT v1 #2054 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1BKJ
Type
protein
Length
460 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NADPH-flavin oxidoreductase
EC
1.6.99.-
UniProt
Q56691
Ligands
FMN, PO4
Pockets
2 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BNADPH-flavin oxidoreductase (EC 1.6.99.-)protein23049% helix, 14% strandQ56691

Ligands and binding sites

  • FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
  • PO4 · Phosphate ion · ion · 2 copies · chains B, A

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12870.640.8040PO4, FMN
22960.620.8043PO4, FMN

Interfaces

1 interface between chains.

  • A–B · 4613 Ų buried · 60 hydrogen bonds · protein-protein

Compared structures

  • 1BKJ · NADPH:FMN oxidoreductase from vibrio harveyi · the same entry in another collection · chain A against A, TM-score 1.00
  • Q56691 · AlphaFold monomer V2.0 prediction for NADPH-flavin oxidoreductase (Q56691) · a predicted model of the same protein · chain A against A, TM-score 0.99

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