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Crystal structure of human cholesterol sulfotransferase (SULT2B1B) in the presence of pap and pregnenolone

Analyse Crystal structure of human cholesterol sulfotransferase (SULT2B1B) in the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1Q20
Type
protein
Length
294 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sulfotransferase family, cytosolic, 2B, member 1 isoform B
UniProt
O00204
Ligands
A3P, PLO, NA
Pockets
1 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASulfotransferase family, cytosolic, 2B, member 1 isoform Bprotein29444% helix, 12% strandO00204

Ligands and binding sites

  • A3P · Adenosine-3'-5'-diphosphate · ligand · chains A
  • PLO · (3beta)-3-hydroxypregn-5-en-20-one · 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15990.820.8669A3P, PLO

Compared structures

  • 1Q20 · Crystal Structure of human cholesterol sulfotransferase (SULT2B1b) in the presence of PAP… · the same entry in another collection · chain A against A, TM-score 1.00
  • O00204 · AlphaFold monomer V2.0 prediction for sulfotransferase 2B1 (O00204) · a predicted model of the same protein · chain A against A, TM-score 1.00

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