Structure of PDB 5x2b Chain F Binding Site BS01

Receptor Information
>5x2b Chain F (length=279) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLLHKYMGIFFSTMSSEELLGSLDSFDAREDDIFLVSYPKSGTHWLAEVI
ERIPDAGITLTSPIELGDISKFEELKRIPKRRAIPTHLNYEMLPVTVKQK
QCKIIYIVRNPKDTAVSMFHYYRDNPNLPSTETWAAFLELFLKGDVVYGS
WFDHVLSWEEHKNDKNVLFIFYEEMKKDFVKSLKKITAFLGIDVNDSEMA
KIARSTSFSEMKSNAAKENPNHVICALTSDRNLVFRKGVVGDWINYFTPK
QNRGFDELFTEKMRNSDVGRCLKEYAHSA
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 chain5x2b Chain F Residue 301 [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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PDB5x2b Crystal structure of mouse sulfotransferase SULT7A1 complexed with PAP
Resolution2.08 Å
Binding residue
(original residue number in PDB)		K47 S48 G49 T50 H51 W52 R116 S124 Y179 F215 M218 V243 F244 R245 G247
Binding residue
(residue number reindexed from 1)		K40 S41 G42 T43 H44 W45 R109 S117 Y172 F208 M211 V234 F235 R236 G238
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) K47 H94 S124
Catalytic site (residue number reindexed from 1) K40 H87 S117
Enzyme Commision number 2.8.2.-
Gene Ontology
Molecular Function
GO:0008146 sulfotransferase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5x2b, PDBe:5x2b, PDBj:5x2b
PDBsum5x2b
PubMed
UniProtB7ZWN4

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