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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).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-galactoside alpha-2,6-sialyltransferase 1 (EC 2.4.99.1) | protein | 318 | 39% helix, 14% strand | P15907 |
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 408 | 0.70 | 0.81 | 51 | CTN, PO4 |
| 2 | 93 | 0.45 | 0.79 | 15 | empty |
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
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 P15907
- Elsewhere: RCSB PDB 4JS1 · PDBe 4JS1 · UniProt P15907
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