Structure of PDB 2q66 Chain A Binding Site BS03

Receptor Information
>2q66 Chain A (length=519) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVFGITGPVSTVGATAAENKLNDSLIQELKKEGSFETEQETANRVQVLKI
LQELAQRFVYEVSKKKNMSDGMARDAGGKIFTYGSYRLGVHGPGSDIDTL
VVVPKHVTREDFFTVFDSLLRERKELDEIAPVPDAFVPIIKIKFSGISIA
LICARLDQPQVPLSLTLSDKNLLRNLDEKDLRALNGTRVTDEILELVPKP
NVFRIALRAIKLWAQRRAVYANIFGFPGGVAWAMLVARICQLYPNACSAV
ILNRFFIILSEWNWPQPVILKPIEDGPLQVRVWNPKIYAQDRSHRMPVIT
PAYPSMCATHNITESTKKVILQEFVRGVQITNDIFSNKKSWANLFEKNDF
FFRYKFYLEITAYTRGSDEQHLKWSGLVESKVRLLVMKLEVLAGIKIAHP
FTKPFESSYCCPTEDDYEMIQDKYGSHKTETALNALKLVTDENEEESIKD
APKAYLSTMYIGLDFNIKVDIHIPCTEFVNLCRSFNEDYGDHKVFNLALR
FVKGYDLPDEVFDENEKRP
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain2q66 Chain A Residue 605 [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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PDB2q66 Mechanism of poly(A) polymerase: structure of the enzyme-MgATP-RNA ternary complex and kinetic analysis.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y87 G88 S89 D100 D102 K215 Y224 G233 V234 M310 A312
Binding residue
(residue number reindexed from 1)		Y83 G84 S85 D96 D98 K211 Y220 G229 V230 M306 A308
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) S89 D100 D102 A154 Y224
Catalytic site (residue number reindexed from 1) S85 D96 D98 A150 Y220
Enzyme Commision number 2.7.7.19: polynucleotide adenylyltransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003723 RNA binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016740 transferase activity
GO:0016779 nucleotidyltransferase activity
GO:0046872 metal ion binding
GO:1990817 poly(A) RNA polymerase activity
Biological Process
GO:0006397 mRNA processing
GO:0030846 termination of RNA polymerase II transcription, poly(A)-coupled
GO:0031123 RNA 3'-end processing
GO:0031124 mRNA 3'-end processing
GO:0031126 sno(s)RNA 3'-end processing
Cellular Component
GO:0005634 nucleus
GO:0005847 mRNA cleavage and polyadenylation specificity factor complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2q66, PDBe:2q66, PDBj:2q66
PDBsum2q66
PubMed17850751
UniProtP29468|PAP_YEAST Poly(A) polymerase (Gene Name=PAP1)

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