Structure of human sialyltransferase ST8SIAIII in complex with cmp- 3FNEU5AC and sia-6S-lacnac

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 14% strand (DSSP).

Ligands and binding sites

• NGS · 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose · ligand · 2 copies · chains A, B
• CSF · Cytidine-5'-monophosphate-3-fluoro-N-acetyl-neuraminic acid · ligand · 2 copies · chains A, B
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 13 copies · chains A, B
• GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B
• SIA · N-acetyl-alpha-neuraminic acid · sugar · 2 copies · chains A, B
• FUC · alpha-L-fucopyranose · sugar · chains A

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 1065 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 glycan, 4 disulfide (N-glycosylation, disulfide).

Compared structures

• 5BO9 · Structure of human sialyltransferase ST8SiaIII in complex with CMP-3FNeu5Ac and… · the same entry in another collection · chain A against A, TM-score 1.00
• O43173 · AlphaFold monomer V2.0 prediction for sia-alpha-2,3-gal- beta-1,4-glcnac-R:ALPHA… · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt O43173
• Elsewhere: RCSB PDB 5BO9 · PDBe 5BO9 · UniProt O43173