Structure of PDB 4e2v Chain A Binding Site BS01

Receptor Information
>4e2v Chain A (length=364) Species: 542 (Zymomonas mobilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPRFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAATVKALKPETVR
ATGADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGGFQVMK
QSEEGVTFKSHSRHMLSPERSIEIQHLLGSDIVMAFDEVTPYPATPSRAA
SSMERSMRWAKRSRDAFDSRKEQAENAALFGIQQGSVFENLRQQSADALA
EIGFDGYAVGGLAVGEGQDEMFRVLDFSVPMLPDDKPHYLMGVGKPDDIV
GAVERGIDMFDCVLPTRSGRNGQAFTWDGPINIRNARFSEDLKPLDSECH
CAVCQKWSRAYIHHLIRAGEILGAMLMTEHNIAFYQQLMQKIRDSISEGR
FSQFAQDFRARYFA
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 chain4e2v Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4e2v Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor.
Resolution1.18 Å
Binding residue
(original residue number in PDB)		F106 D156 V158 G229 G230 L231 M260
Binding residue
(residue number reindexed from 1)		F96 D137 V139 G210 G211 L212 M241
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 D261 C299 C301 C304 H330
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:4e2v, PDBe:4e2v, PDBj:4e2v
PDBsum4e2v
PubMed23704982
UniProtP28720|TGT_ZYMMO Queuine tRNA-ribosyltransferase (Gene Name=tgt)

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