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MolNFT v1 · #65931 · protein

Structure of UGT78G1 complexed with myricetin and udp

3HBF · Flavonoid 3-O-glucosyltransferase: “Structure of UGT78G1 complexed with myricetin and udp”. X-ray diffraction, 2 ligands (UDP, MYC), 2 pockets (best druggability 0.82). MolNFT v1 #65931 on GenesisL1: 3D structure, binding sites and…

PDB
3HBF
Type
protein
Length
443 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Flavonoid 3-O-glucosyltransferase
EC
2.4.1.-
UniProt
A6XNC6
Ligands
UDP, MYC
Pockets
2 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFlavonoid 3-O-glucosyltransferase (EC 2.4.1.-)protein44347% helix, 14% strandA6XNC6

Ligands and binding sites

  • UDP · Uridine-5'-diphosphate · ligand · chains A
  • MYC · 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one · ligand · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18310.820.8482UDP, MYC
21050.330.7328empty

Compared structures

  • 3HBF · Structure of UGT78G1 complexed with myricetin and UDP · the same entry in another collection · chain A against A, TM-score 1.00
  • A6XNC6 · AlphaFold monomer V2.0 prediction for flavonoid 3-O-glucosyltransferase (A6XNC6) · a predicted model of the same protein · chain A against A, TM-score 0.97

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