Structure of PDB 1bo6 Chain B Binding Site BS01

Receptor Information

>1bo6 Chain B (length=282) Species: 10090 (Mus musculus)

EYYEVFGEFRGVLMDKRFTKYWEDVEMFLARPDDLVIATYPKSGTTWISE
VVYMIYKEKEDAIFNRIPYLECRNEDLINGIKQLKEKESPRIVKTHLPPK
LLPASFWEKNCKMIYLCRNAKDVAVSYYYFLLMITSYPNPKSFSEFVEKF
MQGQVPYGSWYDHVKAWWEKSKNSRVLFMFYEDMKEDIRREVVKLIEFLE
RKPSAELVDRIIQHTSFQEMKNNPSTNYTMMPEEMMNQKVSPFMRKGIIG
DWKNHFPEALRERFDEHYKQQMKDCTVKFRME

Ligand information

• Ligand ID: VO4
• InChI: InChI=1S/4O.V/q;3*-1;
• InChIKey: LSGOVYNHVSXFFJ-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341: [O-][V]([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-][V](=O)([O-])[O-]
• Formula: O4 V
• Name: VANADATE ION
• PDB chain: 1bo6 Chain B Residue 304

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1bo6 The sulfuryl transfer mechanism. Crystal structure of a vanadate complex of estrogen sulfotransferase and mutational analysis.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): P47 K48 T51 K106 H108 F255
• Binding residue (residue number reindexed from 1): P41 K42 T45 K94 H96 F243
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K48 H108 S138
• Catalytic site (residue number reindexed from 1): K42 H96 S126
• Enzyme Commision number: 2.8.2.4: estrone sulfotransferase.

Gene Ontology

Molecular Function

• GO:0004304 estrone sulfotransferase activity
• GO:0005496 steroid binding
• GO:0008146 sulfotransferase activity
• GO:0016740 transferase activity
• GO:0050294 steroid sulfotransferase activity

Biological Process

• GO:0006629 lipid metabolic process
• GO:0007565 female pregnancy
• GO:0008210 estrogen metabolic process
• GO:0051923 sulfation

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:1bo6, PDBe:1bo6, PDBj:1bo6
• PDBsum: 1bo6
• PubMed: 9765259
• UniProt: P49891|ST1E1_MOUSE Sulfotransferase 1E1 (Gene Name=Sult1e1)