Structure of PDB 1uev Chain A Binding Site BS02

Receptor Information
>1uev Chain A (length=431) Species: 2234 (Archaeoglobus fulgidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVEEILEKALELVIPDEEEVRKGREAEEELRRRLDELGVEYVFVGSYARN
TWLKGSLEIDVFLLFPEEFSKEELRERGLEIGKAVLDSYEHPYVHGVVKG
VEVDVVPCYKLKEPKNIKSAVDRTPFHHKWLEGRIKGKENEVRLLKGFLK
ANGIYGAEYKVRGFSGYLCELLIVFYGSFLETVKNARRWTRRTVIDVAKG
EVRKGEEFFVVDPVDEKRNVAANLSLDNLARFVHLCREFMEAPSLGFFKP
KHPLEIEPERLRKIVEERGTAVFAVKFRKPDIVDDNLYPQLERASRKIFE
FLERENFMPLRSAFKASEEFCYLLFECQIKEISRVFRRMGPQFEDERNVK
KFLSRNRAFRPFIENGRWWAFEMRKFTTPEEGVRSYASTHWHTLGKNVGE
SIREYFEIISGEKLFKEPVTAELCEMMGVKD
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 chain1uev Chain A Residue 501 [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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PDB1uev Divergent evolutions of trinucleotide polymerization revealed by an archaeal CCA-adding enzyme structure.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		G46 S47 W53 L54 E59 D61 T130 H133 K152 Y161 G172 E176
Binding residue
(residue number reindexed from 1)		G45 S46 W52 L53 E58 D60 T124 H127 K146 Y155 G166 E170
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.7.72: CCA tRNA nucleotidyltransferase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0000287 magnesium ion binding
GO:0003723 RNA binding
GO:0004810 CCA tRNA nucleotidyltransferase activity
GO:0005524 ATP binding
GO:0016779 nucleotidyltransferase activity
GO:0046872 metal ion binding
GO:0160016 CCACCA tRNA nucleotidyltransferase activity
Biological Process
GO:0001680 tRNA 3'-terminal CCA addition
GO:0008033 tRNA processing
GO:0031123 RNA 3'-end processing
GO:0042245 RNA repair
GO:0106354 tRNA surveillance

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1uev, PDBe:1uev, PDBj:1uev
PDBsum1uev
PubMed14592988
UniProtO28126|CCA_ARCFU CCA-adding enzyme (Gene Name=cca)

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