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MolNFT v1 · #75028 · protein

Structure of human O-glcnac transferase and its complex with a peptide substrate

3PE3 · Udp-N-acetylglucosamine--peptide N…: “Structure of human O-glcnac transferase and its complex with a peptide substrate”. X-ray diffraction, 1 ligand (UDP), 20 pockets (best druggability 0.76). MolNFT v1 #75028 on GenesisL1: 3D…

PDB
3PE3
Type
protein
Length
2,804 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Udp-N-acetylglucosamine--peptide N- acetylglucosaminyltransferase 110 kda subunit
EC
2.4.1.-
UniProt
O15294
Ligands
UDP
Pockets
20 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DUdp-N-acetylglucosamine--peptide N- acetylglucosaminyltransferase 110 kda subunit (EC 2.4.1.-)protein70151% helix, 14% strandO15294

Ligands and binding sites

  • UDP · Uridine-5'-diphosphate · ligand · 4 copies · chains A, B, C, D

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

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111040.760.7894UDP
211690.750.78105UDP
3670.730.9817empty
43740.720.8352UDP
58430.710.7764empty

Interfaces

5 interfaces between chains.

  • B–C · 716 Ų buried · 5 hydrogen bonds · protein-protein
  • A–C · 682 Ų buried · 3 hydrogen bonds · protein-protein
  • A–B · 672 Ų buried · 4 hydrogen bonds · protein-protein
  • A–D · 598 Ų buried · 3 hydrogen bonds · protein-protein
  • C–D · 11 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 3PE3 · Structure of human O-GlcNAc transferase and its complex with a peptide substrate · the same entry in another collection · chain A against A, TM-score 1.00
  • O15294 · AlphaFold monomer V2.0 prediction for udp-N-acetylglucosamine-- peptide… · a predicted model of the same protein · chain A against A, TM-score 0.96

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