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MolNFT v1 · #143616 · protein

Schistosoma mansoni (blood fluke) sulfotransferase, F39Y mutant

6B4X · Sulfotransferase oxamniquine resistance protein: “Schistosoma mansoni (blood fluke) sulfotransferase, F39Y mutant”. X-ray diffraction, 2 ligands (A3P, NA), 3 pockets (best druggability 0.78). MolNFT v1 #143616 on GenesisL1: 3D…

PDB
6B4X
Type
protein
Length
256 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, NA
Pockets
3 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 54% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASulfotransferase oxamniquine resistance protein (EC 2.8.2.-)protein25654% helix, 7% strandG4VLE5

Ligands and binding sites

  • A3P · Adenosine-3'-5'-diphosphate · ligand · chains A
  • NA · Sodium ion · metal · chains A
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12320.780.9137TRS
21390.570.8325A3P
3900.310.7217empty

Modifications

Observed in the structure: 1 modified (artifact).

Compared structures

  • 6B4X · Schistosoma mansoni (Blood Fluke) Sulfotransferase, F39Y Mutant · the same entry in another collection · chain A against A, TM-score 1.00

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