Structure of PDB 8w5z Chain A Binding Site BS02

Receptor Information
>8w5z Chain A (length=333) Species: 6944 (Ixodes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NFTYVSPDRYVLGPDSRRYPYNNDMPLIFIGGMPRSGTTLVRVLLDAHPD
VRCGEETRVIPRLLSLKQQWVKNPTEMHRLLEGGITDEVLDAAMSAFILE
VIVRHGKPAPRLCNKDPFTLRAAVYLHRLFPRAKFLLMIRDGRAVVHSII
TRKVTITGYDLSDYRQCLKRWNAAMTSMYAQCQQLGPGLCLPVYYEQLVL
HPRAWMQRILAFLEVPWNDSVLHHEQLINQSGIALSKLERSTDQVIKPIN
LGALSKWVGHIPEDVVRDMAKVAPMLAQLGYDPAANPPDYGQPDNFVLNN
TLEIKKKMEEWQARERELEEHRELIKQSIAKKK
Ligand information
Ligand IDA3P
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
InChIKeyWHTCPDAXWFLDIH-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H]3O
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
FormulaC10 H15 N5 O10 P2
NameADENOSINE-3'-5'-DIPHOSPHATE
ChEMBLCHEMBL574817
DrugBankDB01812
ZINCZINC000004228234
PDB chain8w5z Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8w5z Crystal structure of tick tyrosylprotein sulfotransferase reveals the activation mechanism of the tick anticoagulant protein madanin.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		R74 S75 G76 T77 T78 R179 S187 R191 Y234 S280 Q283 V284 P287 N289 A292 K295
Binding residue
(residue number reindexed from 1)		R35 S36 G37 T38 T39 R140 S148 R152 Y195 S241 Q244 V245 P248 N250 A253 K256
Annotation score5
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8w5z, PDBe:8w5z, PDBj:8w5z
PDBsum8w5z
PubMed38354785
UniProtB7Q097

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