Structure of PDB 7a9e Chain A Binding Site BS02

Receptor Information
>7a9e Chain A (length=379) 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]
AQETDRPRFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAATVKALK
PETVRATGADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGG
YQVMSLLTKQSEEGVTFKSHLDGSRHMLSPERSIEIQHLLGSDIVMAFDE
STPYPATPSRAASSMERSMRWAKRSRDAFDSRKEQAENAALFGIQQGSVF
ENLRQQSADALAEIGFDGYAVGGLAVGEGQDEMFRVLDFSVPMLPDDKPH
YLMGVGKPDDIVGAVERGIDMFDSVLPTRSGRNGQAFTWDGPINIRNARF
SEDLKPLDSECHCAVCQKWSRACIHALIRAGEILGAMLMTEHNIAFYQQL
MQKIRDSISEGRFSQFAQDFRARYFARNS
Ligand information
Ligand IDR4W
InChIInChI=1S/C3H8O2S/c1-3-6(2,4)5/h3H2,1-2H3
InChIKeyYBJCDTIWNDBNTM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCS(=O)(=O)C
CACTVS 3.385CC[S](C)(=O)=O
FormulaC3 H8 O2 S
Name1-methylsulfonylethane;
trans-3,4-dihydroxysulfolane;
ethyl methyl sulfone
ChEMBL
DrugBank
ZINCZINC000002560633
PDB chain7a9e Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7a9e Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Resolution1.76 Å
Binding residue
(original residue number in PDB)		G46 T47 A48 A49 L54 M93
Binding residue
(residue number reindexed from 1)		G41 T42 A43 A44 L49 M88
Annotation score1
Enzymatic activity
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:7a9e, PDBe:7a9e, PDBj:7a9e
PDBsum7a9e
PubMed34081441
UniProtP28720|TGT_ZYMMO Queuine tRNA-ribosyltransferase (Gene Name=tgt)

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