Structure of PDB 6ygz Chain A Binding Site BS02

Receptor Information
>6ygz Chain A (length=352) 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]
DRPRFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAGADIILGNTYH
LMLRPGAERIAKLGGLHSFMGWDRPILTDSGGYQVMSLSSLTKQSEEGVT
FKMLSPERSIEIQHLLGSDIVMAFDECTPYPATPSRAASSMERSMRWAKR
SRDAFDSRKEQAENAALFGIQQGSVFENLRQQSADALAEIGFDGYAVGGL
AVGEGQDEMFRVLDFSVPMLPDDKPHYLMGVGKPDDIVGAVERGIDMFDC
VLPTRSGRNGQAFTWDGPINIRNARFSEDLKPLDSECHCAVCQKWSRAYI
HHLIRAGEILGAMLMTEHNIAFYQQLMQKIRDSISEGRFSQFAQDFRARY
FA
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 chain6ygz Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6ygz Co-crystallization, 19F NMR and nanoESI-MS reveal dimer disturbing inhibitors and conformational changes at dimer contacts
Resolution1.86 Å
Binding residue
(original residue number in PDB)		D102 Y106 D156 C158 G229 G230 L231 A232 M260 G261 D280
Binding residue
(residue number reindexed from 1)		D79 Y83 D125 C127 G198 G199 L200 A201 M229 G230 D249
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) D102 D280 C318 C320 C323 H349
Catalytic site (residue number reindexed from 1) D79 D249 C287 C289 C292 H318
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6ygz, PDBe:6ygz, PDBj:6ygz
PDBsum6ygz
PubMed
UniProtP28720|TGT_ZYMMO Queuine tRNA-ribosyltransferase (Gene Name=tgt)

[Back to BioLiP]