Structure of PDB 5xox Chain E Binding Site BS01

Receptor Information
>5xox Chain E (length=229) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KFGYVRQFETHDVILPQCYIVVRIDGKKFHEFSKFYEFAKPNDENALKLM
NACAKNLVLKYKNDIILAFGESDEYSFILKSSTTLFNRRKDKLATLFGSF
FTSNYVALWAKFFPEKPLNIKHLPYFDSRCVAYPNLQTIKDYLSWRYVDT
HINNLYNTTFWQLIIKCGLTPQESEKKLCGTFSNEKQEILFSECGINYNN
EPEMFKKGSLVTRKGEILHINVIAQIDEL
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[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=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain5xox Chain E Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xox Crystal structure of tRNA(His) guanylyltransferase from Saccharomyces cerevisiae
Resolution3.0 Å
Binding residue
(original residue number in PDB)		K32 H34 S37 F42 K44 S76 D77
Binding residue
(residue number reindexed from 1)		K28 H30 S33 F38 K40 S72 D73
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.7.79: tRNA(His) guanylyltransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0005525 GTP binding
GO:0008193 tRNA guanylyltransferase activity
GO:0016779 nucleotidyltransferase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0097748 3'-5' RNA polymerase activity
Biological Process
GO:0006400 tRNA modification
GO:0008033 tRNA processing
GO:0099116 tRNA 5'-end processing
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5xox, PDBe:5xox, PDBj:5xox
PDBsum5xox
PubMed28623126
UniProtP53215|THG1_YEAST tRNA(His) guanylyltransferase (Gene Name=THG1)

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