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Crystal structure of udp-glucosyltransferase, UGT74F2, with udp and 2- bromobenzoic acid

Analyse Crystal structure of udp-glucosyltransferase, UGT74F2, with udp and 2… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5U6S
Type
protein
Length
888 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Udp-glycosyltransferase 74F2
EC
2.4.1.-
UniProt
O22822
Ligands
UDP, 7WV, BGC
Pockets
8 · best druggability 0.80

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BUdp-glycosyltransferase 74F2 (EC 2.4.1.-)protein44447% helix, 14% strandO22822

Ligands and binding sites

  • UDP · Uridine-5'-diphosphate · ligand · 2 copies · chains A, B
  • 7WV · 2-bromobenzoic acid · ligand · 2 copies · chains A, B
  • BGC · beta-D-glucopyranose · sugar · 6 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16980.800.8473BGC, UDP, 7WV
27580.800.8375BGC, UDP, 7WV
32990.690.8355empty
44590.650.7846BGC
51080.490.8016empty

Interfaces

1 interface between chains.

  • A–B · 749 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 glycan (glycosylation).

Compared structures

  • 5U6S · Crystal structure of UDP-glucosyltransferase, UGT74F2, with UDP and 2-bromobenzoic acid · the same entry in another collection · chain A against A, TM-score 1.00
  • O22822 · AlphaFold monomer V2.0 prediction for udp-glycosyltransferase 74F2 (O22822) · a predicted model of the same protein · chain A against A, TM-score 1.00

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