Structure of PDB 1y5v Chain A Binding Site BS02

Receptor Information
>1y5v Chain A (length=360) Species: 542 (Zymomonas mobilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPRFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAATVKALKPETVR
ATGADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGGYQVMT
KQSEEGVTFKHMLSPERSIEIQHLLGSDIVMAFDECTPYPATPSRAASSM
ERSMRWAKRSRDAFDSRKEQAENAALFGIQQGSVFENLRQQSADALAEIG
FDGYAVGGLAVGEGQDEMFRVLDFSVPMLPDDKPHYLMGVGKPDDIVGAV
ERGIDMFDCVLPTRSGRNGQAFTWDGPINIRNARFSEDLKPLDSECHCAV
CQKWSRAYIHHLIRAGEILGAMLMTEHNIAFYQQLMQKIRDSISEGRFSQ
FAQDFRARYF
Ligand information
Ligand IDNE8
InChIInChI=1S/C17H15N5O/c18-17-21-14-11(7-6-10-4-2-1-3-5-10)15-13(19-9-20-15)8-12(14)16(23)22-17/h1-5,8-9H,6-7H2,(H,19,20)(H3,18,21,22,23)
InChIKeyPBZAIUVFRISTSZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3
CACTVS 3.341NC1=Nc2c(CCc3ccccc3)c4nc[nH]c4cc2C(=O)N1
ACDLabs 10.04O=C1NC(=Nc3c1cc2c(ncn2)c3CCc4ccccc4)N
FormulaC17 H15 N5 O
Name6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
ChEMBL
DrugBankDB08267
ZINCZINC000033836604
PDB chain1y5v Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1y5v Crystal structures of tRNA-guanine transglycosylase (TGT) in complex with novel and potent inhibitors unravel pronounced induced-fit adaptations and suggest dimer formation upon substrate binding
Resolution1.58 Å
Binding residue
(original residue number in PDB)		L68 D102 Y106 D156 C158 G229 G230 L231 A232 M260 G261
Binding residue
(residue number reindexed from 1)		L58 D92 Y96 D134 C136 G207 G208 L209 A210 M238 G239
Annotation score2
Binding affinityMOAD: Ki=1uM
Enzymatic activity
Catalytic site (original residue number in PDB) D102 D280 C318 C320 C323 H349
Catalytic site (residue number reindexed from 1) D92 D258 C296 C298 C301 H327
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:1y5v, PDBe:1y5v, PDBj:1y5v
PDBsum1y5v
PubMed17524419
UniProtP28720|TGT_ZYMMO Queuine tRNA-ribosyltransferase (Gene Name=tgt)

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