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Schistosoma mansoni (blood fluke) SULFOTRANSFERASE/S-oxamniquine complex

Analyse Schistosoma mansoni (blood fluke) SULFOTRANSFERASE/S-oxamniquine complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5BYK
Type: protein
Length: 254 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sulfotransferase
UniProt: G4VLE5
Ligands: A3P, OAQ, NA
Pockets: 4 · 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	protein	254	55% 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
NA · Sodium ion · metal · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	279	0.79	0.91	37	OAQ
2	135	0.57	0.83	25	A3P
3	54	0.33	0.77	18	empty
4	82	0.31	0.73	14	empty

Modifications

Observed in the structure: 1 modified (artifact).

Compared structures

5BYK · Schistosoma mansoni (Blood Fluke) Sulfotransferase/S-oxamniquine 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 5BYK · PDBe 5BYK · UniProt G4VLE5

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