Structure of PDB 4giy Chain A Binding Site BS02

Receptor Information
>4giy Chain A (length=344) 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]
RPRFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTADIILGNTYHLML
RPGAERIAKLGGLHSFMGWDRPILTDSGGYQVMSLSTKQSEEGVTFLSPE
RSIEIQHLLGSDIVMAFDECTPYPATPSRAASSMERSMRWAKRSRDAFDS
RKEQAENAALFGIQQGSVFENLRQQSADALAEIGFDGYAVGGLAVGEGQD
EMFRVLDFSVPMLPDDKPHYLMGVGKPDDIVGAVERGIDMFDCVLPTRSG
RNGQAFTWDGPINIRNARFSEDLKPLDSECHCAVCQKWSRAYIHHLIRAG
EILGAMLMTEHNIAFYQQLMQKIRDSISEGRFSQFAQDFRARYF
Ligand information
Ligand ID0WY
InChIInChI=1S/C26H33N7O/c27-25-31-22-19(12-13-28-16-18-9-5-2-6-10-18)23-21(15-20(22)24(34)33-25)30-26(32-23)29-14-11-17-7-3-1-4-8-17/h1,3-4,7-8,15,18,28H,2,5-6,9-14,16H2,(H2,29,30,32)(H3,27,31,33,34)
InChIKeyMTBBEHDSALYQRB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370NC1=Nc2c(CCNCC3CCCCC3)c4[nH]c(NCCc5ccccc5)nc4cc2C(=O)N1
OpenEye OEToolkits 1.7.6c1ccc(cc1)CCNc2[nH]c3c(n2)cc4c(c3CCNCC5CCCCC5)N=C(NC4=O)N
ACDLabs 12.01O=C3c4cc2nc(NCCc1ccccc1)nc2c(c4N=C(N)N3)CCNCC5CCCCC5
FormulaC26 H33 N7 O
Name6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
ChEMBL
DrugBank
ZINCZINC000095920855
PDB chain4giy Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4giy Two-armed benzopurine inhibitors of TGT
Resolution1.75 Å
Binding residue
(original residue number in PDB)		N70 D102 Y106 D156 C158 G229 A232 M260 G261 D280 V282
Binding residue
(residue number reindexed from 1)		N44 D76 Y80 D118 C120 G191 A194 M222 G223 D242 V244
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D102 D280 C318 C320 C323 H349
Catalytic site (residue number reindexed from 1) D76 D242 C280 C282 C285 H311
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:4giy, PDBe:4giy, PDBj:4giy
PDBsum4giy
PubMed
UniProtP28720|TGT_ZYMMO Queuine tRNA-ribosyltransferase (Gene Name=tgt)

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