Structure of PDB 3erc Chain D Binding Site BS04

Receptor Information
>3erc Chain D (length=445) Species: 10254 (Vaccinia virus WR) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NITLKIIETYLGRVPSVNEYHMLKSQARNIQKITVFNKDIFVSLVKKNKK
RFFSDVNTSASEIKDRILSYFSKQTQTYNIGKLFTIIELQSVLVTTYTDI
LGVLTINVTSMEELARDMLNSMNVAVVSSLVKNVNKLMEEYLRRHNKSCI
CYGSYSLYLINPNIRYGDIDILQTNSRTFLIDLAFLIKFITGNNIILSKI
PYLRNYMVIKDENDNHIIDSFNIRQDTMNVVPKIFIDNIYIVDPTFQLLN
MIKMFSQIDRLEDLSKDPEKFNARMATMLEYVRYTHGIVFDGKRNNMPMK
CIIDENNRIVTVTTKDYFSFKKCLVYLDENVLSSDILDLNADTSCDFESV
TNSVYLIHDNIMYTYFSNTILLSDKGKVHEISARGLCAHILLYQMLTSGE
YKQCLSDLLNSMMNRDKIPIYSHTERDKKPGRHGFINIEKDIIVF
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 chain3erc Chain D Residue 800 [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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PDB3erc Polymerase Translocation with Respect to Single-Stranded Nucleic Acid: Looping or Wrapping of Primer around a Poly(A) Polymerase
Resolution3.21 Å
Binding residue
(original residue number in PDB)		G187 S188 D202 N284 M288 K304 R308 N402
Binding residue
(residue number reindexed from 1)		G153 S154 D168 N250 M254 K270 R274 N368
Annotation score3
Enzymatic activity
Enzyme Commision number 2.7.7.19: polynucleotide adenylyltransferase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016740 transferase activity
GO:0046872 metal ion binding
GO:1990817 poly(A) RNA polymerase activity
Biological Process
GO:0006397 mRNA processing

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Molecular Function
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Biological Process
External links
PDB RCSB:3erc, PDBe:3erc, PDBj:3erc
PDBsum3erc
PubMed19446524
UniProtP23371|PAP1_VACCW Poly(A) polymerase catalytic subunit (Gene Name=OPG063)

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