MolNFT v1 · #40194 · protein
Crystal structure of pasteurella multocida sialyltransferase in an open conformation with cmp bound
2IIQ · Alpha-2,3/2,6-SIALYLTRANSFERASE/SIALIDASE: “Crystal structure of pasteurella multocida sialyltransferase in an open conformation with cmp bound”. X-ray diffraction, 1 ligand (C5P), 10 pockets (best druggability 0.59). MolNFT v1…
- PDB
- 2IIQ
- Type
- protein
- Length
- 776 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-2,3/2,6-SIALYLTRANSFERASE/SIALIDASE
- EC
- 2.4.99.4
- UniProt
- Q15KI8
- Ligands
- C5P
- Pockets
- 10 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Alpha-2,3/2,6-SIALYLTRANSFERASE/SIALIDASE (EC 2.4.99.4) | protein | 388 | 41% helix, 19% strand | Q15KI8 |
Ligands and binding sites
- C5P · Cytidine-5'-monophosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 313 | 0.59 | 0.77 | 37 | C5P |
| 2 | 235 | 0.55 | 0.77 | 36 | C5P |
| 3 | 185 | 0.51 | 0.77 | 25 | empty |
| 4 | 129 | 0.44 | 0.77 | 20 | empty |
| 5 | 76 | 0.41 | 0.79 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 265 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2IIQ · Crystal structure of Pasteurella multocida sialyltransferase in an open conformation with… · 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 2IIQ · PDBe 2IIQ · UniProt Q15KI8
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