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MolNFT v1 · #105757 · protein

Crystal structure of udp-glucose: anthocyanidin 3-O- glucosyltransferase in complex with delphinidin

4REM · Udp-GLUCOSE:ANTHOCYANIDIN 3-O-glucosyltransferase: “Crystal structure of udp-glucose: anthocyanidin 3-O- glucosyltransferase in complex with delphinidin”. X-ray diffraction, 1 ligand (DLM), 2 pockets (best druggability 0.78). MolNFT…

PDB
4REM
Type
protein
Length
446 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Udp-GLUCOSE:ANTHOCYANIDIN 3-O-glucosyltransferase
EC
2.4.1.115
UniProt
A4F1R4
Ligands
DLM
Pockets
2 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUdp-GLUCOSE:ANTHOCYANIDIN 3-O-glucosyltransferase (EC 2.4.1.115)protein44645% helix, 14% strandA4F1R4

Ligands and binding sites

  • DLM · 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium · ligand · 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

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111910.780.79119DLM, GOL
2800.310.7313empty

Compared structures

  • 4REM · Crystal structure of UDP-glucose: anthocyanidin 3-O-glucosyltransferase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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