Structure of PDB 5uti Chain A Binding Site BS02

Receptor Information
>5uti Chain A (length=371) Species: 264203 (Zymomonas mobilis subsp. mobilis ZM4 = ATCC 31821) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPRFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAATVKALKPETVR
ATGADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGGYQVMS
LSTKQSEEGVTFKSHLDGSRHMLSPERSIEIQHLLGSDIVMAFDECTPYP
ATPSRAASSMERSMRWAKRSRDAFDSRKEQAENAALFGIQQGSVFENLRQ
QSADALAEIGFDGYAVGGLAVGEGQDEMFRVLDFSVPMLPDDKPHYLMGV
GKPDDIVGAVERGIDMFDCVLPTRSGRNGQAFTWDGPINIRNARFSEDLK
PLDSECHCAVCQKWSRAYIHHLIRAGEILGAMLMTEHNIAFYQQLMQKIR
DSISEGRFSQFAQDFRARYFA
Ligand information
Ligand IDGGB
InChIInChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1
InChIKeyFSBIGDSBMBYOPN-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)CCONC(=[N@H])N
OpenEye OEToolkits 1.5.0[H]N=C(N)NOCCC(C(=O)O)N
CACTVS 3.341N[CH](CCONC(N)=N)C(O)=O
CACTVS 3.341N[C@@H](CCONC(N)=N)C(O)=O
OpenEye OEToolkits 1.5.0[H]/N=C(\N)/NOCC[C@@H](C(=O)O)N
FormulaC5 H12 N4 O3
NameL-CANAVANINE;
L-2-AMINO-4-(GUANIDINOOXY)BUTYRIC ACID
ChEMBLCHEMBL443732
DrugBankDB01833
ZINCZINC000003869452
PDB chain5uti Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5uti Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Resolution1.36 Å
Binding residue
(original residue number in PDB)		D102 Y106 D156 G229 G230 L231 M260
Binding residue
(residue number reindexed from 1)		D92 Y96 D144 G217 G218 L219 M248
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D102 D280 C318 C320 C323 H349
Catalytic site (residue number reindexed from 1) D92 D268 C306 C308 C311 H337
Enzyme Commision number 2.4.2.29: tRNA-guanosine(34) preQ1 transglycosylase.
Gene Ontology
Molecular Function
GO:0008479 tRNA-guanosine(34) queuine transglycosylase activity
GO:0016757 glycosyltransferase activity
GO:0016763 pentosyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0002099 tRNA wobble guanine modification
GO:0006400 tRNA modification
GO:0008033 tRNA processing
GO:0008616 queuosine biosynthetic process
GO:0101030 tRNA-guanine transglycosylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5uti, PDBe:5uti, PDBj:5uti
PDBsum5uti
PubMed31808981
UniProtP28720|TGT_ZYMMO Queuine tRNA-ribosyltransferase (Gene Name=tgt)

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