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MolNFT v1 · #20215 · protein

Glycosyltransferase a in complex with 3-deoxy-acceptor analog inhibitor

1R7T · Glycoprotein-fucosylgalactoside alpha-N…: “Glycosyltransferase a in complex with 3-deoxy-acceptor analog inhibitor”. X-ray diffraction, 3 ligands (DLG, FUC, HG), 1 pocket (best druggability 0.59). MolNFT v1 #20215 on GenesisL1: 3D…

PDB
1R7T
Type
protein
Length
263 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycoprotein-fucosylgalactoside alpha-N- acetylgalactosaminyltransferase
EC
2.4.1.40
UniProt
P16442
Ligands
DLG, FUC, HG
Pockets
1 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlycoprotein-fucosylgalactoside alpha-N- acetylgalactosaminyltransferase (EC 2.4.1.40)protein26331% helix, 22% strandP16442

Ligands and binding sites

  • DLG · hexyl 3-deoxy-beta-D-galactopyranoside · ligand · chains A
  • FUC · alpha-L-fucopyranose · sugar · chains A
  • HG · Mercury (II) ion · metal · 4 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13420.590.7642FUC, HG

Compared structures

  • 1R7T · Glycosyltransferase A in complex with 3-deoxy-acceptor analog inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
  • P16442 · AlphaFold monomer V2.0 prediction for histo-blood group abo system transferase (P16442) · a predicted model of the same protein · chain A against A, TM-score 0.99

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