Structure of PDB 1q79 Chain A Binding Site BS03

Receptor Information
>1q79 Chain A (length=470) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HYGITSPISLAAPKETDCLLTQKLVETLKPFGVFEEEEELQRRILILGKL
NNLVKEWIREISESKNLPQSVIENVGGKIFTFGSYRLGVHTKGADIDALC
VAPRHVDRSDFFTSFYDKLKLQEEVKDLRAVEEAFVPVIKLCFDGIEIDI
LFARLALQTIPEDLDLRDDSLLKNLDIRCIRSLNGCRVTDEILHLVPNID
NFRLTLRAIKLWAKRHNIYSNILGFLGGVSWAMLVARTCQLYPNAIASTL
VHKFFLVFSKWEWPNPVLLKQPEECNLNLPVWDPRVNPSDRYHLMPIITP
AYPQQNSTYNVSVSTRMVMVEEFKQGLAITDEILLSKAEWSKLFEAPNFF
QKYKHYIVLLASAPTEKQRLEWVGLVESKIRILVGSLEKNEFITLAHVNP
QSFPAPKENPDKEEFRTMWVIGLVFKDLTYDIQSFTDTVYRQAINSKMFE
VDMKIAAMHVKRKQLHQLLP
Ligand information
Ligand ID3AT
InChIInChI=1S/C10H16N5O12P3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(25-10)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1
InChIKeyNLIHPCYXRYQPSD-BAJZRUMYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3
OpenEye OEToolkits 1.7.5c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N
CACTVS 3.385Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C[C@H]3O
OpenEye OEToolkits 1.7.5c1nc(c2c(n1)n(cn2)C3C(CC(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N
FormulaC10 H16 N5 O12 P3
Name3'-DEOXYADENOSINE-5'-TRIPHOSPHATE;
CORDYCEPIN TRIPHOSPHATE
ChEMBLCHEMBL480329
DrugBankDB01860
ZINCZINC000013540909
PDB chain1q79 Chain A Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1q79 Biochemical and structural insights into substrate binding and catalytic mechanism of mammalian poly(A) polymerase.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		G101 S102 D113 D115 D167 V247
Binding residue
(residue number reindexed from 1)		G83 S84 D95 D97 D149 V229
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) S102 D113 D115 D167 K228 Y237
Catalytic site (residue number reindexed from 1) S84 D95 D97 D149 K210 Y219
Enzyme Commision number 2.7.7.19: polynucleotide adenylyltransferase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0016779 nucleotidyltransferase activity
GO:1990817 poly(A) RNA polymerase activity
Biological Process
GO:0031123 RNA 3'-end processing
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1q79, PDBe:1q79, PDBj:1q79
PDBsum1q79
PubMed15328606
UniProtP25500|PAPOA_BOVIN Poly(A) polymerase alpha (Gene Name=PAPOLA)

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