MolNFT v1 · #143919 · protein
Schistosoma mansoni (blood fluke) SULFOTRANSFERASE/CIDD-0000204 (compound 11F) complex
6BDS · Sulfotransferase oxamniquine resistance protein: “Schistosoma mansoni (blood fluke) SULFOTRANSFERASE/CIDD-0000204 (compound 11F) complex”. X-ray diffraction, 2 ligands (DJ4, A3P), 3 pockets (best druggability 0.79). MolNFT v1…
- PDB
- 6BDS
- Type
- protein
- Length
- 258 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfotransferase oxamniquine resistance protein
- UniProt
- G4VLE5
- Ligands
- DJ4, A3P
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sulfotransferase oxamniquine resistance protein | protein | 258 | 55% helix, 7% strand | G4VLE5 |
Ligands and binding sites
- DJ4 · [2-[oxidanyl(oxidanylidene)-$L^{4}-azanyl]-4-[[(3~{S})-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]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 | 418 | 0.79 | 0.87 | 58 | A3P, DJ4 |
| 2 | 110 | 0.41 | 0.76 | 25 | empty |
| 3 | 89 | 0.32 | 0.73 | 16 | empty |
Compared structures
- 6BDS · Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0000204 (Compound 11f) 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 6BDS · PDBe 6BDS · UniProt G4VLE5
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