MolNFT v1 · #134909 · protein
Schistosoma haematobium (blood fluke) SULFOTRANSFERASE/S-oxamniquine complex
5TIY: “Schistosoma haematobium (blood fluke) SULFOTRANSFERASE/S-oxamniquine complex”. X-ray diffraction, 2 ligands (A3P, OAQ), 2 pockets (best druggability 0.81). MolNFT v1 #134909 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5TIY
- Type
- protein
- Length
- 246 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfotransferase
- UniProt
- A0A094ZWQ2
- Ligands
- A3P, OAQ
- Pockets
- 2 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sulfotransferase | protein | 246 | 54% helix, 7% strand | A0A094ZWQ2 |
Ligands and binding sites
- A3P · Adenosine-3'-5'-diphosphate · ligand · chains A
- OAQ · {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 252 | 0.81 | 0.93 | 38 | OAQ |
| 2 | 103 | 0.45 | 0.79 | 23 | A3P |
Compared structures
- 5TIY · Schistosoma haematobium (Blood Fluke) Sulfotransferase/S-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 5TIY · PDBe 5TIY · UniProt A0A094ZWQ2
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