Structure of PDB 3amu Chain A Binding Site BS03

Receptor Information
>3amu Chain A (length=402) Species: 2234 (Archaeoglobus fulgidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMRVWVGIDDTDSSRGMCTTYLAVLAMERVERELGKVIGFPRLIRLNPTI
PNGAVSFLVEVDDVGELVDVVNEVIIEHAMLDDEKTNPGAVFVDEELAVK
LKPFADKAIKDVLQIDEALFVIGKYFIPHLRHKKGRGLIGALAAVGAELE
DFTLELIAYRYPERFGTEREYDEESFFDMDYELYPQTFDNVDWCNDVVVC
IPNTPCPVLYGIRGESVEALYKAMESVKTEPVDRRMIFVTNHATDMHLIG
EEEVHRLENYRSYRLRGRVTLEPYDIEGGHVFFEIDTKFGSVKCAAFEPT
KQFRNVIRLLRKGDVVEVYGSMKKDTINLEKIQIVELAEIWVEKNPICPE
SAGRGQGFADEKLREKVERELQPGFYEVPPSARRHLSKPLIRMNVEGRHI
FR
Ligand information
Ligand IDAG2
InChIInChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
InChIKeyQYPPJABKJHAVHS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NCCCCNC(N)=N
ACDLabs 10.04[N@H]=C(N)NCCCCN
OpenEye OEToolkits 1.5.0C(CCNC(=N)N)CN
FormulaC5 H14 N4
NameAGMATINE;
(4-AMINOBUTYL)GUANIDINE
ChEMBLCHEMBL58343
DrugBankDB08838
ZINCZINC000001532560
PDB chain3amu Chain A Residue 422 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3amu Structural basis of tRNA agmatinylation essential for AUA codon decoding
Resolution3.1 Å
Binding residue
(original residue number in PDB)		D193 V203 C204 G215 R217
Binding residue
(residue number reindexed from 1)		D189 V199 C200 G211 R213
Annotation score5
Enzymatic activity
Enzyme Commision number 6.3.4.22: tRNA(Ile)(2)-agmatinylcytidine synthase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0016879 ligase activity, forming carbon-nitrogen bonds
Biological Process
GO:0002101 tRNA wobble cytosine modification
GO:0008033 tRNA processing
Cellular Component
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:3amu, PDBe:3amu, PDBj:3amu
PDBsum3amu
PubMed22002223
UniProtO28025|TIAS_ARCFU tRNA(Ile2) 2-agmatinylcytidine synthetase TiaS (Gene Name=tiaS)

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