Structure of PDB 3wfr Chain H Binding Site BS02

Receptor Information
>3wfr Chain H (length=463) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAALNFYLSYFDDVAKVLPREHYCFIVGGWVRDRILGEPVGYNIDVDFLT
TADPVELAKNFAKRIGGHFFVFEKRGFLIKRPTIASVVLHLPPYRYRFDF
SPLKGKDLEKALIEDLKERDFTANAIAVNLDDVLSTIVYDPTGGIKDLEQ
GLLRPVSIENLKRDPVRVLRGFRIAIEKNLQLTEDFYEFVKEDPRIVLKS
AVERITHELFKIMKEKTAHKVIRELYEYGVLEAIIPEIGRLREVKDPLDE
HTLKTLEYLEQVIEDRAKYLSAELLENFGKKRVLGEFTDVELLKWGALFH
DIGKPQTFAFYEHDKVGAQIVREIGERLRWGDEATEFVAKLVRHHLRPFF
LREAFKKGELKRRGMANFWRECGDIAPHLFLLSIADAMASGDEEEDIKAL
METIAELESFNRNEMKEEIQKAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAA
Ligand information
Ligand IDCTP
InChIInChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyPCDQPRRSZKQHHS-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O
FormulaC9 H16 N3 O14 P3
NameCYTIDINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL223533
DrugBankDB02431
ZINCZINC000003861746
PDB chain3wfr Chain H Residue 601 [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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PDB3wfr Translocation and rotation of tRNA during template-independent RNA polymerization by tRNA nucleotidyltransferase
Resolution3.501 Å
Binding residue
(original residue number in PDB)		G42 R45 D58 D60 R132 D133 N137 D182 R185 R188
Binding residue
(residue number reindexed from 1)		G29 R32 D45 D47 R119 D120 N124 D164 R167 R170
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.7.-
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0016779 nucleotidyltransferase activity
Biological Process
GO:0006396 RNA processing

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3wfr, PDBe:3wfr, PDBj:3wfr
PDBsum3wfr
PubMed24389024
UniProtO67911|CATNT_AQUAE CC-adding tRNA nucleotidyltransferase (Gene Name=aq_2158)

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