MolNFT v1 · #96724 · protein
Crystal structure of human beta-galactoside alpha-2,6- sialyltransferase 1 in complex with cmp
4JS2 · Beta-galactoside alpha-2,6-sialyltransferase 1: “Crystal structure of human beta-galactoside alpha-2,6- sialyltransferase 1 in complex with cmp”. X-ray diffraction, 6 ligands (C, NAG, MAN), 3 pockets (best druggability 0.69). MolNFT…
- PDB
- 4JS2
- Type
- protein
- Length
- 318 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-galactoside alpha-2,6-sialyltransferase 1
- EC
- 2.4.99.1
- UniProt
- P15907
- Ligands
- C, NAG, MAN, GAL, BMA, FUL
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 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
- C · Cytidine-5'-monophosphate · 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
- FUL · beta-L-fucopyranose · sugar
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 422 | 0.69 | 0.80 | 47 | C |
| 2 | 80 | 0.45 | 0.81 | 17 | empty |
| 3 | 50 | 0.32 | 0.77 | 11 | empty |
Modifications
Observed in the structure: 3 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 4JS2 · Crystal structure of human Beta-galactoside alpha-2,6-sialyltransferase 1 in complex with… · 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 4JS2 · PDBe 4JS2 · UniProt P15907
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