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Quinone reductase 2 in complex with adrenochrome

Analyse Quinone reductase 2 in complex with adrenochrome in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2QMY
Type
protein
Length
460 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribosyldihydronicotinamide dehydrogenase
EC
1.10.99.2
UniProt
P16083
Ligands
FAD, AD1, ZN
Pockets
2 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BRibosyldihydronicotinamide dehydrogenase (EC 1.10.99.2)protein23041% helix, 17% strandP16083

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
  • AD1 · (3S)-3-hydroxy-1-methyl-2,3-dihydro-1H-indole-5,6-dione · ligand · 2 copies · chains A, B
  • ZN · Zinc ion · metal · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15910.780.8447FAD, AD1
25560.770.8442AD1, FAD

Interfaces

1 interface between chains.

  • A–B · 2080 Ų buried · 27 hydrogen bonds · protein-protein

Compared structures

  • 2QMY · Qui Reductase 2 in complex with adrenochrome · the same entry in another collection · chain A against A, TM-score 1.00
  • P16083 · AlphaFold monomer V2.0 prediction for ribosyldihydronicotinamide dehydrogenase [quinone]… · a predicted model of the same protein · chain A against A, TM-score 0.99

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