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MolNFT v1 · #125163 · protein

Human POGLUT1 in complex with EGF(+) and udp-phosphono-glucose

5L0U · Protein O-glucosyltransferase 1: “Human POGLUT1 in complex with EGF(+) and udp-phosphono-glucose”. X-ray diffraction, 3 ligands (660, NAG, CA), 4 pockets (best druggability 0.81). MolNFT v1 #125163 on GenesisL1: 3D structure…

PDB
5L0U
Type
protein
Length
396 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein O-glucosyltransferase 1; EGF(+)
EC
2.4.1.-, 2.4.2.26
UniProt
Q8NBL1
Ligands
660, NAG, CA
Pockets
4 · best druggability 0.81

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)protein35642% helix, 16% strandQ8NBL1
BEGF(+)protein4010% helix, 30% strand—

Ligands and binding sites

  • 660 · [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene) pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[(2~{S},3~{R},4~{S},5~{S}, 6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]phosphinic acid · 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14020.810.8947660
2610.340.7716empty
3660.320.7517empty
4600.280.7413empty

Interfaces

1 interface between chains.

  • A–B · 749 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 5L0U · human POGLUT1 in complex with EGF(+) and UDP-phosphono-glucose · 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

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