MolNFT v1 · #143622 · protein

Schistosoma haematobium (blood fluke) sulfotransferase, S166T mutant

6B53: “Schistosoma haematobium (blood fluke) sulfotransferase, S166T mutant”. X-ray diffraction, 1 ligand (A3P), 4 pockets (best druggability 0.79). MolNFT v1 #143622 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6B53
Type: protein
Length: 492 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sulfotransferase
EC: 2.8.2.-
UniProt: A0A094ZWQ2
Ligands: A3P
Pockets: 4 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 56% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Sulfotransferase (EC 2.8.2.-)	protein	246	56% helix, 7% strand	A0A094ZWQ2

Ligands and binding sites

A3P · Adenosine-3'-5'-diphosphate · ligand · 2 copies · chains A, B
TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B

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	1185	0.79	0.81	115	A3P, TRS
2	327	0.75	0.86	59	A3P, TRS
3	73	0.32	0.74	17	empty
4	71	0.30	0.74	18	empty

Interfaces

1 interface between chains.

A–B · 645 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

6B53 · Schistosoma haematobium (Blood Fluke) Sulfotransferase, S166T 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 A0A094ZWQ2
Elsewhere: RCSB PDB 6B53 · PDBe 6B53 · UniProt A0A094ZWQ2

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