Structure of PDB 2ga4 Chain A Binding Site BS01

Receptor Information
>2ga4 Chain A (length=283) Species: 10730 (Escherichia phage 933W) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REFTIDFSTQQSYVSSLNSIRTEISTPLEHISQGTTSVSVINHTPPGSYF
AVDIRGLDVYQARFDHLRLIIEQNNLYVAGFVNTATNTFYRFSDFTHISV
PGVTTVSMTTDSSYTTLQRVAALERSGMQISRHSLVSSYLALMEFSGNTM
TRDASRAVLRFVTVTAEALRFRQIQREFRQALSETAPVYTMTPGDVDLTL
NWGRISNVLPEYRGEDGVRVGRISFNNISAILGTVAVILNCHQPECQITG
DRPVIKINNTLWESNTAAAFLNRKSQFLYTTGK
Ligand information
Ligand IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain2ga4 Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ga4 Binding of adenine to Stx2, the protein toxin from Escherichia coli O157:H7.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y77 V78 S112 Y114 V162 R170
Binding residue
(residue number reindexed from 1)		Y77 V78 S112 Y114 V162 R170
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.2.22: rRNA N-glycosylase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0030598 rRNA N-glycosylase activity
GO:0090729 toxin activity
Biological Process
GO:0017148 negative regulation of translation
GO:0098676 modulation of host virulence by virus
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2ga4, PDBe:2ga4, PDBj:2ga4
PDBsum2ga4
PubMed16820678
UniProtP09385|STXA_BP933 Shiga-like toxin 2 subunit A (Gene Name=stxA2)

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