Structure of PDB 4gkt Chain A Binding Site BS02

Receptor Information
>4gkt Chain A (length=354) 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]
RPRFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGATVKALKPETVRAT
GADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGGYQTKQSE
EGVTFMLSPERSIEIQHLLGSDIVMAFDECTPYPATPSRAASSMERSMRW
AKRSRDAFDSRKEQAENAALFGIQQGSVFENLRQQSADALAEIGFDGYAV
GGLAVGEGQDEMFRVLDFSVPMLPDDKPHYLMGVGKPDDIVGAVERGIDM
FDCVLPTRSGRNGQAFTWDGPINIRNARFSEDLKPLDSECHCAVCQKWSR
AYIHHLIRAGEILGAMLMTEHNIAFYQQLMQKIRDSISEGRFSQFAQDFR
ARYF
Ligand information
Ligand ID0O1
InChIInChI=1S/C25H31N7O/c26-24-30-21-18(11-12-27-15-17-8-4-5-9-17)22-20(14-19(21)23(33)32-24)29-25(31-22)28-13-10-16-6-2-1-3-7-16/h1-3,6-7,14,17,27H,4-5,8-13,15H2,(H2,28,29,31)(H3,26,30,32,33)
InChIKeyRDFXKIVPJRMHKW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C3c4cc2nc(NCCc1ccccc1)nc2c(c4N=C(N)N3)CCNCC5CCCC5
OpenEye OEToolkits 1.7.6c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCC5)N=C(NC4=O)N
CACTVS 3.370NC1=Nc2c(CCNCC3CCCC3)c4[nH]c(NCCc5ccccc5)nc4cc2C(=O)N1
FormulaC25 H31 N7 O
Name6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
ChEMBL
DrugBank
ZINCZINC000095920854
PDB chain4gkt 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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PDB4gkt Two-armed benzopurine inhibitors of TGT
Resolution1.53 Å
Binding residue
(original residue number in PDB)		L68 N70 D102 Y106 D156 C158 G229 A232 M260 G261 D280 V282
Binding residue
(residue number reindexed from 1)		L56 N58 D90 Y94 D128 C130 G201 A204 M232 G233 D252 V254
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D102 D280 C318 C320 C323 H349
Catalytic site (residue number reindexed from 1) D90 D252 C290 C292 C295 H321
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:4gkt, PDBe:4gkt, PDBj:4gkt
PDBsum4gkt
PubMed
UniProtP28720|TGT_ZYMMO Queuine tRNA-ribosyltransferase (Gene Name=tgt)

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