Structure of PDB 1r4p Chain E Binding Site BS02

Receptor Information
>1r4p Chain E (length=70) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADCAKGKIEFSKYNEDDTFTVKVDGKEYWTSRWNLQPLLQSAQLTGMTVT
IKSSTCESGSGFAEVQFNND
Ligand information
Ligand IDFMT
InChIInChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
InChIKeyBDAGIHXWWSANSR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(=O)O
CACTVS 3.352OC=O
ACDLabs 11.02O=CO
FormulaC H2 O2
NameFORMIC ACID
ChEMBLCHEMBL116736
DrugBankDB01942
ZINC
PDB chain1r4p Chain E Residue 3014 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1r4p Structure of Shiga Toxin Type 2 (Stx2) from Escherichia coli O157:H7.
Resolution1.77 Å
Binding residue
(original residue number in PDB)		T45 G46 N69
Binding residue
(residue number reindexed from 1)		T45 G46 N69
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0019836 hemolysis by symbiont of host erythrocytes
GO:0098676 modulation of host virulence by virus
Cellular Component
GO:0005576 extracellular region

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Cellular Component
External links
PDB RCSB:1r4p, PDBe:1r4p, PDBj:1r4p
PDBsum1r4p
PubMed15075327
UniProtP09386|STXB_BP933 Shiga-like toxin 2 subunit B (Gene Name=stxB2)

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