Research workbench
Schistosoma mansoni (blood fluke) SULFOTRANSFERASE/OXAMNIQUINE complex, T157S mutant
Analyse Schistosoma mansoni (blood fluke) SULFOTRANSFERASE/OXAMNIQUINE complex, T157S… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6B50
- Type
- protein
- Length
- 252 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfotransferase oxamniquine resistance protein
- EC
- 2.8.2.-
- UniProt
- G4VLE5
- Ligands
- A3P, OAQ
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sulfotransferase oxamniquine resistance protein (EC 2.8.2.-) | protein | 252 | 53% helix, 7% strand | G4VLE5 |
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
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 292 | 0.79 | 0.90 | 38 | OAQ |
| 2 | 115 | 0.50 | 0.81 | 23 | A3P |
| 3 | 71 | 0.38 | 0.78 | 23 | empty |
| 4 | 67 | 0.30 | 0.73 | 13 | empty |
Compared structures
- 6B50 · Schistosoma mansoni (Blood Fluke) Sulfotransferase/Oxamniquine Complex, T157S Mutant · 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 G4VLE5
- Elsewhere: RCSB PDB 6B50 · PDBe 6B50 · UniProt G4VLE5
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.