Structure of PDB 1tfw Chain D Binding Site BS04

Receptor Information
>1tfw Chain D (length=437) Species: 2234 (Archaeoglobus fulgidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKVEEILEKALELVIPDEEEVRKGREAEEELRRRLDELGVEYVFVGSYAR
NTWLKGSLEIDVFLLFPEEFSKEELRERGLEIGKAVLDSYEIRYAEHPYV
HGVVKGVEVDVVPCYKLKEPKNIKSAVDRTPFHHKWLEGRIKGKENEVRL
LKGFLKANGIYGAEYKVRGFSGYLCELLIVFYGSFLETVKNARRWTRRTV
IDVAKGEVRKGEEFFVVDPVDEKRNVAANLSLDNLARFVHLCREFMEAPS
LGFFKPKHPLEIEPERLRKIVEERGTAVFAVKFRKPDIVDDNLYPQLERA
SRKIFEFLERENFMPLRSAFKASEEFCYLLFECQIKEISRVFRRMGPQFE
DERNVKKFLSRNRAFRPFIENGRWWAFEMRKFTTPEEGVRSYASTHWHTL
GKNVGESIREYFEIISGEKLFKEPVTAELCEMMGVKD
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 chain1tfw Chain D Residue 1502 [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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PDB1tfw Mechanism of transfer RNA maturation by CCA-adding enzyme without using an oligonucleotide template.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		G46 S47 D61 T130 H133 K152 Y161 R224
Binding residue
(residue number reindexed from 1)		G46 S47 D61 T130 H133 K152 Y161 R224
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:1tfw, PDBe:1tfw, PDBj:1tfw
PDBsum1tfw
PubMed15295590
UniProtO28126|CCA_ARCFU CCA-adding enzyme (Gene Name=cca)

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