MolNFT v1 · #156787 · protein
Schistosoma mansoni (blood fluke) SULFOTRANSFERASE/CIDD-0000773 (compound 11G) complex
6MFE · Sulfotransferase oxamniquine resistance protein: “Schistosoma mansoni (blood fluke) SULFOTRANSFERASE/CIDD-0000773 (compound 11G) complex”. X-ray diffraction, 2 ligands (A3P, S73), 4 pockets (best druggability 0.80). MolNFT v1…
- PDB
- 6MFE
- Type
- protein
- Length
- 259 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfotransferase oxamniquine resistance protein
- UniProt
- G4VLE5
- Ligands
- A3P, S73
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sulfotransferase oxamniquine resistance protein | protein | 259 | 54% helix, 7% strand | G4VLE5 |
Ligands and binding sites
- A3P · Adenosine-3'-5'-diphosphate · ligand · chains A
- S73 · (2-nitro-4-{[(3S)-1-{[4-(trifluoromethoxy) phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)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 | 288 | 0.80 | 0.91 | 37 | S73 |
| 2 | 135 | 0.56 | 0.83 | 26 | A3P |
| 3 | 115 | 0.46 | 0.79 | 24 | empty |
| 4 | 91 | 0.32 | 0.73 | 17 | empty |
Modifications
Observed in the structure: 1 modified (artifact).
Compared structures
- 6MFE · Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0000773 (Compound 11g) 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 6MFE · PDBe 6MFE · UniProt G4VLE5
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