Research workbench
Schistosoma haematobium (blood fluke) SULFOTRANSFERASE/R-oxamniquine complex
Analyse Schistosoma haematobium (blood fluke) SULFOTRANSFERASE/R-oxamniquine complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5TIX
- Type
- protein
- Length
- 492 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfotransferase
- UniProt
- A0A094ZWQ2
- Ligands
- A3P, OQR
- Pockets
- 3 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Sulfotransferase | protein | 246 | 55% helix, 7% strand | A0A094ZWQ2 |
Ligands and binding sites
- A3P · Adenosine-3'-5'-diphosphate · ligand · 2 copies · chains A, B
- OQR · {(2R)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 361 | 0.80 | 0.89 | 55 | A3P, OQR |
| 2 | 412 | 0.78 | 0.87 | 64 | A3P, OQR |
| 3 | 194 | 0.45 | 0.74 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 51 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5TIX · Schistosoma haematobium (Blood Fluke) Sulfotransferase/R-oxamniquine 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 A0A094ZWQ2
- Elsewhere: RCSB PDB 5TIX · PDBe 5TIX · UniProt A0A094ZWQ2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.