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crystal structure of human Beta-galactoside alpha-2,6-sialyltransferase 1 in complex with cytidine and phosphate

Analyse crystal structure of human Beta-galactoside alpha-2,6-sialyltransferase 1 in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4JS1
Type
protein
Length
318 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.09
Source
Homo sapiens
Molecule
Beta-galactoside alpha-2,6-sialyltransferase 1
EC
2.4.99.1
UniProt
P15907
Ligands
CTN, NAG, MAN, GAL, BMA, PO4
Pockets
2 · best druggability 0.70

Structure

x-ray diffraction · resolution 2.09 · 1 distinct chain · 39% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-galactoside alpha-2,6-sialyltransferase 1 (EC 2.4.99.1)protein31839% helix, 14% strandP15907

Ligands and binding sites

  • CTN · 4-amino-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
  • MAN · alpha-D-mannopyranose · sugar · 2 copies
  • GAL · beta-D-galactopyranose · sugar · 2 copies
  • BMA · beta-D-mannopyranose · sugar
  • PO4 · Phosphate ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14080.700.8151CTN, PO4
2930.450.7915empty

Modifications

Observed in the structure: 2 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

  • 4JS1 · Crystal structure of human beta-galactoside alpha-2,6- sialyltransferase 1 in complex… · the same entry in another collection · chain A against A, TM-score 1.00
  • P15907 · AlphaFold monomer V2.0 prediction for beta-galactoside alpha-2,6-sialyltransferase 1… · a predicted model of the same protein · chain A against A, TM-score 1.00

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