Structure of PDB 3mxg Chain J Binding Site BS01

Receptor Information
>3mxg Chain J (length=70) Species: 83334 (Escherichia coli O157:H7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADCAKGKIEFSKYNEDDTFTVKVDGKEYWTSRWNLQPLLLSAQLTGMTVT
IKSSTCESGSGFAEVQFNND
Ligand information
Ligand IDXLS
InChIInChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1
InChIKeyPYMYPHUHKUWMLA-VPENINKCSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=CC(O)C(O)C(O)CO
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)C=O
OpenEye OEToolkits 1.5.0C([C@H]([C@@H]([C@H](C=O)O)O)O)O
CACTVS 3.341OC[C@@H](O)[C@H](O)[C@@H](O)C=O
OpenEye OEToolkits 1.5.0C(C(C(C(C=O)O)O)O)O
FormulaC5 H10 O5
NameD-xylose;
D-XYLOSE (LINEAR FORM)
ChEMBLCHEMBL1236821
DrugBankDB09419
ZINCZINC000018168715
PDB chain3mxg Chain B Residue 71 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3mxg Molecular basis of differential B-pentamer stability of Shiga toxins 1 and 2.
Resolution2.49 Å
Binding residue
(original residue number in PDB)		D16 W29
Binding residue
(residue number reindexed from 1)		D16 W29
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0019836 hemolysis by symbiont of host erythrocytes
Cellular Component
GO:0005576 extracellular region

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Biological Process
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Cellular Component
External links
PDB RCSB:3mxg, PDBe:3mxg, PDBj:3mxg
PDBsum3mxg
PubMed21203383
UniProtA7UQX3

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