Research workbench
Structural analysis of the sialyltransferase cstii from campylobacter jejuni in complex with a substrate analogue, cytidine-5'- monophosphate
Analyse Structural analysis of the sialyltransferase cstii from campylobacter jejuni in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1RO8
- Type
- protein
- Length
- 472 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-2,3/8-sialyltransferase
- EC
- 2.4.99.-
- UniProt
- Q9LAK3
- Ligands
- C5P
- Pockets
- 6 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-2,3/8-sialyltransferase (EC 2.4.99.-) | protein | 248 | 40% helix, 16% strand | Q9LAK3 |
| B | Alpha-2,3/8-sialyltransferase (EC 2.4.99.-) | protein | 224 | 40% helix, 17% strand | Q9LAK3 |
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
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 202 | 0.61 | 0.82 | 35 | C5P |
| 2 | 77 | 0.47 | 0.82 | 16 | C5P |
| 3 | 126 | 0.39 | 0.74 | 23 | empty |
| 4 | 64 | 0.35 | 0.78 | 13 | empty |
| 5 | 65 | 0.28 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 300 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 1RO8 · Structural analysis of the sialyltransferase CstII from Campylobacter jejuni in complex… · 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 Q9LAK3
- Elsewhere: RCSB PDB 1RO8 · PDBe 1RO8 · UniProt Q9LAK3
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