Structure of PDB 7a9e Chain A Binding Site BS03

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 405 [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)		V45 T47 L54
Binding residue
(residue number reindexed from 1)		V40 T42 L49
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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