Structure of PDB 8w5z Chain A Binding Site BS05

Receptor Information

>8w5z Chain A (length=333) Species: 6944 (Ixodes)

NFTYVSPDRYVLGPDSRRYPYNNDMPLIFIGGMPRSGTTLVRVLLDAHPD
VRCGEETRVIPRLLSLKQQWVKNPTEMHRLLEGGITDEVLDAAMSAFILE
VIVRHGKPAPRLCNKDPFTLRAAVYLHRLFPRAKFLLMIRDGRAVVHSII
TRKVTITGYDLSDYRQCLKRWNAAMTSMYAQCQQLGPGLCLPVYYEQLVL
HPRAWMQRILAFLEVPWNDSVLHHEQLINQSGIALSKLERSTDQVIKPIN
LGALSKWVGHIPEDVVRDMAKVAPMLAQLGYDPAANPPDYGQPDNFVLNN
TLEIKKKMEEWQARERELEEHRELIKQSIAKKK

Ligand information

• Ligand ID: 1PS
• InChI: InChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
• InChIKey: REEBJQTUIJTGAL-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [O-][S](=O)(=O)CCC[n+]1ccccc1
  ACDLabs 10.04: [O-]S(=O)(=O)CCC[n+]1ccccc1
  OpenEye OEToolkits 1.5.0: c1cc[n+](cc1)CCCS(=O)(=O)[O-]
• Formula: C8 H11 N O3 S
• Name: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE;
  1-(3-SULFOPROPYL) PYRIDINIUM;
  PPS
• PDB chain: 8w5z Chain A Residue 406

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8w5z Crystal structure of tick tyrosylprotein sulfotransferase reveals the activation mechanism of the tick anticoagulant protein madanin.
• Resolution: 1.55 Å
• Binding residue (original residue number in PDB): Y233 Q236 G319 Y320 D328 Y329
• Binding residue (residue number reindexed from 1): Y194 Q197 G280 Y281 D289 Y290
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.8.2.20: protein-tyrosine sulfotransferase.

Gene Ontology

Molecular Function

• GO:0008476 protein-tyrosine sulfotransferase activity

Biological Process

• GO:0006478 peptidyl-tyrosine sulfation

External links

• PDB: RCSB:8w5z, PDBe:8w5z, PDBj:8w5z
• PDBsum: 8w5z
• PubMed: 38354785
• UniProt: B7Q097