Structure of PDB 1fa0 Chain A Binding Site BS03

Receptor Information
>1fa0 Chain A (length=509) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQKVFGITGPVSTVGATAAENKLNDSLIQELKKEGSFETEQETANRVQVL
KILQELAQRFVYEVSKKKNMSDGMARDAGGKIFTYGSYRLGVHGPGSDID
TLVVVPKHVTREDFFTVFDSLLRERKELDEIAPVPDAFVPIIKIKFSGIS
IDLICARLDQPQVPLSLTLSDKNLLRNLDEKDLRALNGTRVTDEILELVP
KPNVFRIALRAIKLWAQRRAVYANIFGFPGGVAWAMLVARICQLYPNACS
AVILNRFFIILSEWNWPQPVILKPIEDGPLQVRVWNPKIYAQDRSHRMPV
ITPAYPSMCATHNITESTKKVILQEFVRGVQITNDIFSNKKSWANLFEKN
DFFFRYKFYLEITAYTRGSDEQHLKWSGLVESKVRLLVMKLEVLAGIKIA
HPFTKPFESSYCCPTEDDYEMIQDKLKLVTDENKEEESIKDAPKAYLSTM
YIGLDFNIENKKEKVDIHIPCTEFVNLCRSFNEDYGDHKVFNLALRFVKG
YDLPDEVFD
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 chain1fa0 Chain A Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1fa0 Structure of yeast poly(A) polymerase alone and in complex with 3'-dATP.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		G88 S89 S99 D100 D102
Binding residue
(residue number reindexed from 1)		G86 S87 S97 D98 D100
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) S89 D100 D102 D154 K215 Y224
Catalytic site (residue number reindexed from 1) S87 D98 D100 D152 K213 Y222
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:1fa0, PDBe:1fa0, PDBj:1fa0
PDBsum1fa0
PubMed10958780
UniProtP29468|PAP_YEAST Poly(A) polymerase (Gene Name=PAP1)

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