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MolNFT v1 · #164755 · protein

Urocanate reductase in complex with FAD

6T86: “Urocanate reductase in complex with FAD”. X-ray diffraction, 4 ligands (FAD, NA, SO4), 1 pocket (best druggability 0.78). MolNFT v1 #164755 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6T86
Type
protein
Length
454 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Urocanate reductase
EC
1.3.99.33
UniProt
Q8CVD0
Ligands
FAD, NA, SO4, CL
Pockets
1 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUrocanate reductase (EC 1.3.99.33)protein45436% helix, 24% strandQ8CVD0

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · chains A
  • NA · Sodium ion · metal · chains A
  • SO4 · Sulfate ion · ion · 6 copies · chains A
  • CL · Chloride ion · ion · 3 copies · chains A
  • GOL · Glycerol · additive · 3 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
17030.780.8379FAD, GOL, SO4

Compared structures

  • 6T86 · Urocanate reductase in complex with FAD · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8CVD0 · AlphaFold monomer V2.0 prediction for urocanate reductase (Q8CVD0) · a predicted model of the same protein · chain A against A, TM-score 0.99

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