Structure of PDB 3ap3 Chain D Binding Site BS01

Receptor Information
>3ap3 Chain D (length=292) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VYRYGKAMPLIFVGGVPRSGTTLMRAMLDAHPEVRCGEETRIIPRVLAMR
QAWSKSGREKLRLDEAGVTDEVLDAAMQAFILEVIAKHGEPARVLCNKDP
FTLKSSVYLSRLFPNSKFLLMVRDGRASVHSMITRKVTIAGFDLSSYRDC
LTKWNKAIEVMYAQCMEVGKEKCLPVYYEQLVLHPRRSLKLILDFLGIAW
SDAVLHHEDLIGKPGGVSLSKIERSTDQVIKPVNLEALSKWTGHIPGDVV
RDMAQIAPMLAQLGYDPYANPPNYGNPDPFVINNTQRVLKGD
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 chain3ap3 Chain D Residue 1 [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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PDB3ap3 Crystal structure of human tyrosylprotein sulfotransferase-2 reveals the mechanism of protein tyrosine sulfation reaction.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		R78 S79 G80 T81 T82 L83 R183 S191 R195 Y238 S285 Q288 V289 K291 P292 N294 A297
Binding residue
(residue number reindexed from 1)		R18 S19 G20 T21 T22 L23 R123 S131 R135 Y178 S225 Q228 V229 K231 P232 N234 A237
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:3ap3, PDBe:3ap3, PDBj:3ap3
PDBsum3ap3
PubMed23481380
UniProtO60704|TPST2_HUMAN Protein-tyrosine sulfotransferase 2 (Gene Name=TPST2)

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