Structure of PDB 2z1w Chain A Binding Site BS02

Receptor Information
>2z1w Chain A (length=362) Species: 542 (Zymomonas mobilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPRFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAATVKALKPETVR
ATGADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGGYQVMS
LTKQSEEGVTFKMLSPERSIEIQHLLGSDIVMAFDECTPYPATPSRAASS
MERSMRWAKRSRDAFDSRKEQAENAALFGIQQGSVFENLRQQSADALAEI
GFDGYAVGGLAVGQGQDEMFRVLDFSVPMLPDDKPHYLMGVGKPDDIVGA
VERGIDMFDCVLPTRSGRNGQAFTWDGPINIRNARFSEDLKPLDSECHCA
VCQKWSRAYIHHLIRAGEILGAMLMTEHNIAFYQQLMQKIRDSISEGRFS
QFAQDFRARYFA
Ligand information
Ligand IDBDI
InChIInChI=1S/C9H12N4O2/c1-2-3-4-5-10-6-7(11-5)9(15)13-12-8(6)14/h2-4H2,1H3,(H,10,11)(H,12,14)(H,13,15)
InChIKeyDQHJYYALMHIEAH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCc1[nH]c2c(n1)C(=O)NNC2=O
CACTVS 3.341CCCCc1[nH]c2C(=O)NNC(=O)c2n1
ACDLabs 10.04O=C2c1nc(nc1C(=O)NN2)CCCC
FormulaC9 H12 N4 O2
Name2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-D]PYRIDAZINE-4,7-DIONE
ChEMBLCHEMBL280051
DrugBankDB02441
ZINC
PDB chain2z1w Chain A Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2z1w Glutamate versus Glutamine Exchange Swaps Substrate Selectivity in tRNA-Guanine Transglycosylase: Insight into the Regulation of Substrate Selectivity by Kinetic and Crystallographic Studies
Resolution1.63 Å
Binding residue
(original residue number in PDB)		Y106 D156 C158 Q203 G229 G230 M260
Binding residue
(residue number reindexed from 1)		Y96 D135 C137 Q182 G208 G209 M239
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.08,Ki=83uM
Enzymatic activity
Catalytic site (original residue number in PDB) D102 D280 C318 C320 C323 H349
Catalytic site (residue number reindexed from 1) D92 D259 C297 C299 C302 H328
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:2z1w, PDBe:2z1w, PDBj:2z1w
PDBsum2z1w
PubMed17949745
UniProtP28720|TGT_ZYMMO Queuine tRNA-ribosyltransferase (Gene Name=tgt)

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