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MolNFT v1 · #135842 · protein

Human POGLUT1 in complex with human NOTCH1 EGF12 S458T mutant and udp

5UB5 · Protein O-glucosyltransferase 1: “Human POGLUT1 in complex with human NOTCH1 EGF12 S458T mutant and udp”. X-ray diffraction, 3 ligands (UDP, NAG, CA), 3 pockets (best druggability 0.84). MolNFT v1 #135842 on GenesisL1: 3D structure…

PDB
5UB5
Type
protein
Length
395 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein O-glucosyltransferase 1; Neurogenic locus notch homolog protein 1
EC
2.4.1.-, 2.4.2.26
UniProt
Q8NBL1, P46531
Ligands
UDP, NAG, CA
Pockets
3 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein O-glucosyltransferase 1 (EC 2.4.1.-, 2.4.2.26)protein35542% helix, 15% strandQ8NBL1
BNeurogenic locus notch homolog protein 1protein4010% helix, 35% strandP46531

Ligands and binding sites

  • UDP · Uridine-5'-diphosphate · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
  • CA · Calcium ion · metal · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12330.840.9736UDP
21140.440.7824empty
3740.330.7514empty

Interfaces

1 interface between chains.

  • A–B · 823 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide, 3 glycan (disulfide, N-glycosylation).

Compared structures

  • 5UB5 · human POGLUT1 in complex with human Notch1 EGF12 S458T mutant and UDP · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8NBL1 · AlphaFold monomer V2.0 prediction for protein O-glucosyltransferase 1 (Q8NBL1) · a predicted model of the same protein · chain A against A, TM-score 1.00
  • P46531 · AlphaFold monomer V2.0 prediction for neurogenic locus notch homolog protein 1 (P46531) · a predicted model of the same protein · chain B against A, TM-score 0.83

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