MolNFT v1 · #78275 · protein
Crystal structure of pasteurella multocida sialyltransferase M144D mutant with cmp bound
3S44 · Alpha-2,3/2,6-SIALYLTRANSFERASE/SIALIDASE: “Crystal structure of pasteurella multocida sialyltransferase M144D mutant with cmp bound”. X-ray diffraction, 1 ligand (FN5), 3 pockets (best druggability 0.55). MolNFT v1 #78275 on…
- PDB
- 3S44
- Type
- protein
- Length
- 388 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-2,3/2,6-SIALYLTRANSFERASE/SIALIDASE
- EC
- 2.4.99.-
- UniProt
- Q15KI8
- Ligands
- FN5
- Pockets
- 3 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-2,3/2,6-SIALYLTRANSFERASE/SIALIDASE (EC 2.4.99.-) | protein | 388 | 42% helix, 19% strand | Q15KI8 |
Ligands and binding sites
- FN5 · CMP-3F(a)-Neu5Ac · ligand · chains A
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 | 298 | 0.55 | 0.76 | 48 | FN5 |
| 2 | 94 | 0.41 | 0.77 | 16 | empty |
| 3 | 85 | 0.38 | 0.77 | 20 | empty |
Compared structures
- 3S44 · Crystal Structure of Pasteurella multocida sialyltransferase M144D mutant with CMP bound · the same entry in another collection · 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 Q15KI8
- Elsewhere: RCSB PDB 3S44 · PDBe 3S44 · UniProt Q15KI8
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