Structure of PDB 3wfr Chain E Binding Site BS02
Receptor Information
>3wfr Chain E (length=439) Species:
32630
(synthetic construct) [
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AAAALNFYLSYFDDVAKVLPREHYCFIVGGWVRDRILGEPVGYNIDVDFL
TTADPVELAKNFAKRIGGHFFVFEPTIASVVLHLPPYRYRFDFSPLKGKD
LEKALIEDLKERDFTANAIAVNLDDVLSTIVYDPTGGIKDLEQGLLRPVS
IENLKRDPVRVLRGFRIAIEKNLQLTEDFYEFVKEDPRIVLKSAVERITH
ELFKIMKEKTAHKVIRELYEYGVLEAIIPEIGRLREVKDPLDEHTLKTLE
YLEQVIEDRAKYLSAELLENFGKKRVLGEFTDVELLKWGALFHDIGKPQT
FAFYEHDKVGAQIVREIGERLRWGDEATEFVAKLVRHHLRPFFLREAFKK
GELKRRGMANFWRECGDIAPHLFLLSIADAMASGDEEEDIKALMETIAEL
ESFNRNEMKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
Ligand information
Ligand ID
CTP
InChI
InChI=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
InChIKey
PCDQPRRSZKQHHS-XVFCMESISA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0
C1=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 3.341
NC1=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 10.04
O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
CACTVS 3.341
NC1=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
Formula
C9 H16 N3 O14 P3
Name
CYTIDINE-5'-TRIPHOSPHATE
ChEMBL
CHEMBL223533
DrugBank
DB02431
ZINC
ZINC000003861746
PDB chain
3wfr Chain E Residue 601 [
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Receptor-Ligand Complex Structure
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PDB
3wfr
Translocation and rotation of tRNA during template-independent RNA polymerization by tRNA nucleotidyltransferase
Resolution
3.501 Å
Binding residue
(original residue number in PDB)
G42 R45 D58 D60 R132 D133 N137 R185 R188
Binding residue
(residue number reindexed from 1)
G30 R33 D46 D48 R112 D113 N117 R160 R163
Annotation score
4
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
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Biological Process
External links
PDB
RCSB:3wfr
,
PDBe:3wfr
,
PDBj:3wfr
PDBsum
3wfr
PubMed
24389024
UniProt
O67911
|CATNT_AQUAE CC-adding tRNA nucleotidyltransferase (Gene Name=aq_2158)
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