Structure of PDB 1f3e Chain A Binding Site BS02

Receptor Information
>1f3e Chain A (length=372) Species: 542 (Zymomonas mobilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPRFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAATVKALKPETVR
ATGADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGGYQVMS
LSSLTKQSEEGVTFKSHLDGSRHMLSPERSIEIQHLLGSDIVMAFDECTP
YPATPSRAASSMERSMRWAKRSRDAFDSRKEQAENAALFGIQQGSVFENL
RQQSADALAEIGFDGYAVGGLAVGEGQDEMFRVLDFSVPMLPDDKPHYLM
GVGKPDDIVGAVERGIDMFDCVLPTRSGRNGQAFTWDGPINIRNARFSED
LKPLDSECHCAVCQKWSRAYIHHLIRAGEILGAMLMTEHNIAFYQQLMQK
IRDSISEGRFSQFAQDFRARYF
Ligand information
Ligand IDDPZ
InChIInChI=1S/C8H8N4O2/c9-3-1-4-6(5(10)2-3)8(14)12-11-7(4)13/h1-2H,9-10H2,(H,11,13)(H,12,14)
InChIKeyBAOICLZZDLLDRL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C2c1c(cc(cc1N)N)C(=O)NN2
OpenEye OEToolkits 1.5.0c1c(cc(c2c1C(=O)NNC2=O)N)N
CACTVS 3.341Nc1cc(N)c2C(=O)NNC(=O)c2c1
FormulaC8 H8 N4 O2
Name3,5-DIAMINOPHTHALHYDRAZIDE
ChEMBL
DrugBankDB04169
ZINC
PDB chain1f3e Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1f3e A new target for shigellosis: rational design and crystallographic studies of inhibitors of tRNA-guanine transglycosylase.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		Y106 D156 C158 Q203 G229 G230 M260
Binding residue
(residue number reindexed from 1)		Y96 D146 C148 Q193 G219 G220 M250
Annotation score1
Binding affinityMOAD: Ki=0.2uM
PDBbind-CN: -logKd/Ki=6.70,Ki=0.2uM
Enzymatic activity
Catalytic site (original residue number in PDB) D102 D280 C318 C320 C323 H349
Catalytic site (residue number reindexed from 1) D92 D270 C308 C310 C313 H339
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:1f3e, PDBe:1f3e, PDBj:1f3e
PDBsum1f3e
PubMed11178905
UniProtP28720|TGT_ZYMMO Queuine tRNA-ribosyltransferase (Gene Name=tgt)

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