Structure of PDB 1p0e Chain A Binding Site BS02

Receptor Information
>1p0e Chain A (length=363) Species: 542 (Zymomonas mobilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPRFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAATVKALKPETVR
ATGADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGGYQVMS
LSTKQSEEGVTFHMLSPERSIEIQHLLGSDIVMAFDECTPYPATPSRAAS
SMERSMRWAKRSRDAFDSRKEQAENAALFGIQQGSVFENLRQQSADALAE
IGFDGYAVGGLAVGEGQDEMFRVLDFSVPMLPDDKPHYLMGVGKPDDIVG
AVERGIDMFDCVLPTRSGRNGQAFTWDGPINIRNARFSEDLKPLDSECHC
AVCQKWSRAYIHHLIRAGEILGAMLMTEHNIAFYQQLMQKIRDSISEGRF
SQFAQDFRARYFA
Ligand information
Ligand IDPRF
InChIInChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)
InChIKeyMEYMBLGOKYDGLZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NCc1c[nH]c2N=C(N)NC(=O)c12
OpenEye OEToolkits 1.5.0c1c(c2c([nH]1)N=C(NC2=O)N)CN
ACDLabs 10.04O=C1c2c(cnc2N=C(N1)N)CN
FormulaC7 H9 N5 O
Name7-DEAZA-7-AMINOMETHYL-GUANINE
ChEMBLCHEMBL1235432
DrugBankDB03304
ZINCZINC000003869370
PDB chain1p0e Chain A Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1p0e Flexible adaptations in the structure of the tRNA-modifying enzyme tRNA-guanine transglycosylase and their implications for substrate selectivity, reaction mechanism and structure-based drug design
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D102 Y106 D156 C158 G229 G230 L231 M260
Binding residue
(residue number reindexed from 1)		D92 Y96 D136 C138 G209 G210 L211 M240
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D102 D280 C318 C320 C323 H349
Catalytic site (residue number reindexed from 1) D92 D260 C298 C300 C303 H329
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:1p0e, PDBe:1p0e, PDBj:1p0e
PDBsum1p0e
PubMed14523925
UniProtP28720|TGT_ZYMMO Queuine tRNA-ribosyltransferase (Gene Name=tgt)

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