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MolNFT v1 · #107420 · protein

Crystal structure of nqrc from vibrio cholerae

4U9S · Na(+)-translocating NADH-quinone reductase subunit C: “Crystal structure of nqrc from vibrio cholerae”. X-ray diffraction, 2 ligands (FMN, BR), 1 pocket (best druggability 0.59). MolNFT v1 #107420 on GenesisL1: 3D structure, binding…

PDB
4U9S
Type
protein
Length
219 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Na(+)-translocating NADH-quinone reductase subunit C
EC
1.6.5.-
UniProt
A5F5Y7
Ligands
FMN, BR
Pockets
1 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CNa(+)-translocating NADH-quinone reductase subunit C (EC 1.6.5.-)protein21928% helix, 29% strandA5F5Y7

Ligands and binding sites

  • FMN · Flavin mononucleotide · ligand · chains C
  • BR · Bromide ion · ion · chains C
  • GOL · Glycerol · additive · chains C

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
11670.590.8231GOL, BR

Modifications

Observed in the structure: 1 cofactor (flavinylation).

Compared structures

  • 4U9S · Crystal structure of NqrC from Vibrio cholerae · the same entry in another collection · chain C against C, TM-score 1.00
  • A5F5Y7 · AlphaFold monomer V2.0 prediction for na(+)-translocating NADH- quinone reductase subunit… · a predicted model of the same protein · chain C against A, TM-score 1.00

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