MolNFT v1 · #143916 · protein
Schistosoma mansoni (blood fluke) SULFOTRANSFERASE/CIDD-0000071 (compound 9C) complex
6BDP · Sulfotransferase oxamniquine resistance protein: “Schistosoma mansoni (blood fluke) SULFOTRANSFERASE/CIDD-0000071 (compound 9C) complex”. X-ray diffraction, 2 ligands (A3P, DE4), 3 pockets (best druggability 0.79). MolNFT v1 #143916…
- PDB
- 6BDP
- Type
- protein
- Length
- 252 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfotransferase oxamniquine resistance protein
- UniProt
- G4VLE5
- Ligands
- A3P, DE4
- Pockets
- 3 · best druggability 0.79
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 | 252 | 54% helix, 7% strand | G4VLE5 |
Ligands and binding sites
- A3P · Adenosine-3'-5'-diphosphate · ligand · chains A
- DE4 · [2-[oxidanyl(oxidanylidene)-$L^{4}-azanyl]-4-[[(3~{R})-1-(phenylmethyl)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
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 | 398 | 0.79 | 0.88 | 57 | A3P, DE4 |
| 2 | 65 | 0.44 | 0.82 | 23 | empty |
| 3 | 97 | 0.34 | 0.73 | 15 | empty |
Modifications
Observed in the structure: 1 modified (artifact).
Compared structures
- 6BDP · Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0000071 (Compound 9c) 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 6BDP · PDBe 6BDP · UniProt G4VLE5
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