MolNFT v1 · #143617 · protein

Schistosoma mansoni (blood fluke) SULFOTRANSFERASE/OXAMNIQUINE complex, F39Y mutant

6B4Y · Sulfotransferase oxamniquine resistance protein: “Schistosoma mansoni (blood fluke) SULFOTRANSFERASE/OXAMNIQUINE complex, F39Y mutant”. X-ray diffraction, 2 ligands (A3P, OAQ), 2 pockets (best druggability 0.79). MolNFT v1 #143617…

PDB: 6B4Y
Type: protein
Length: 251 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, OAQ
Pockets: 2 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Sulfotransferase oxamniquine resistance protein (EC 2.8.2.-)	protein	251	53% helix, 7% strand	G4VLE5

Ligands and binding sites

A3P · Adenosine-3'-5'-diphosphate · ligand · chains A
OAQ · {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	410	0.79	0.88	58	A3P, OAQ
2	92	0.32	0.72	15	empty

Compared structures

6B4Y · Schistosoma mansoni (Blood Fluke) Sulfotransferase/Oxamniquine Complex, F39Y Mutant · 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 6B4Y · PDBe 6B4Y · UniProt G4VLE5

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