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MolNFT v1 · #186059 · protein

X-ray structure of FAD domain of nqrf of pseudomonas aeruginosa

7QU3 · Na(+)-translocating NADH-quinone reductase subunit F: “X-ray structure of FAD domain of nqrf of pseudomonas aeruginosa”. X-ray diffraction, 3 ligands (FAD, RYM, MG), 1 pocket (best druggability 0.62). MolNFT v1 #186059 on GenesisL1…

PDB
7QU3
Type
protein
Length
279 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Na(+)-translocating NADH-quinone reductase subunit F
EC
7.2.1.1
UniProt
Q02PF8
Ligands
FAD, RYM, MG
Pockets
1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANa(+)-translocating NADH-quinone reductase subunit F (EC 7.2.1.1)protein27930% helix, 30% strandQ02PF8

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · chains A
  • RYM · 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • DMS · Dimethyl sulfoxide · additive · 4 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14190.620.7757FAD, RYM, DMS

Compared structures

  • 7QU3 · X-ray structure of FAD domain of NqrF of Pseudomonas aeruginosa · the same entry in another collection · chain A against A, TM-score 1.00
  • Q02PF8 · AlphaFold monomer V2.0 prediction for na(+)-translocating NADH- quinone reductase subunit… · a predicted model of the same protein · chain A against A, TM-score 0.99

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