Research workbench
Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0000206 (Compound 9f) Complex
Analyse Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0000206 (Compound 9f)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6BDR
- Type
- protein
- Length
- 259 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.66
- Source
- Schistosoma mansoni
- Molecule
- Sulfotransferase oxamniquine resistance protein
- UniProt
- G4VLE5
- Ligands
- DF7, A3P
- Pockets
- 3 · best druggability 0.80
Structure
x-ray diffraction · resolution 1.66 · 1 distinct chain · 55% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sulfotransferase oxamniquine resistance protein | protein | 259 | 55% helix, 7% strand | G4VLE5 |
Ligands and binding sites
- DF7 · [4-[[(3~{R})-1-(1~{H}-indol-3-ylmethyl)pyrrolidin-3-yl]amino]-2-[oxidanyl(oxidanylidene)-$L^{4}-azanyl]phenyl]methanol · ligand · 2 copies · chains A
- A3P · Adenosine-3'-5'-diphosphate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 450 | 0.80 | 0.88 | 62 | A3P, DF7 |
| 2 | 101 | 0.40 | 0.77 | 22 | empty |
| 3 | 88 | 0.32 | 0.73 | 16 | empty |
Modifications
Observed in the structure: 1 modified (artifact).
Compared structures
- 6BDR · Schistosoma mansoni (blood fluke) SULFOTRANSFERASE/CIDD-0000206 (compound 9F) 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 G4VLE5
- Elsewhere: RCSB PDB 6BDR · PDBe 6BDR · UniProt G4VLE5
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