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MolNFT v1 · #168919 · protein

Human vkor with phenindione

6WV6 · Vitamin K epoxide reductase, termini restrained by green…: “Human vkor with phenindione”. X-ray diffraction, 2 ligands (CRO, UAS), 2 pockets (best druggability 0.81). MolNFT v1 #168919 on GenesisL1: 3D structure, binding sites and…

PDB
6WV6
Type
protein
Length
381 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Vitamin K epoxide reductase, termini restrained by green fluorescent protein
EC
1.17.4.4
UniProt
A0A059PIQ0, Q9BQB6
Ligands
CRO, UAS
Pockets
2 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVitamin K epoxide reductase, termini restrained by green fluorescent protein (EC 1.17.4.4)protein38133% helix, 33% strandA0A059PIQ0, Q9BQB6

Ligands and binding sites

  • CRO · {2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · chains A
  • UAS · Phenindione · ligand · chains A
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 2 copies · chains 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
16580.810.8572CRO
22490.760.8934OLC, UAS

Modifications

Observed in the structure: 2 cofactor, 2 disulfide (chromophore, disulfide).

Compared structures

  • 6WV6 · Human VKOR with phenindione · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9BQB6 · AlphaFold monomer V2.0 prediction for vitamin K epoxide reductase complex subunit 1… · a predicted model of the same protein · chain A against A, TM-score 0.41

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