Structure of PDB 4eo7 Chain A Binding Site BS01

Receptor Information
>4eo7 Chain A (length=144) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GGVDMPERFDAFICYCPSDIQFVQEMIRQLEQTNYRLKLCVSDRDVLPGT
CVWSIASELIEKRCRRMVVVVSDDYLQSKECDFQTKFALSLSPGAHQKRL
IPIKYKAMKKEFPSILRFITVCDYTNPCTKSWFWTRLAKALSLP
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4eo7 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4eo7 Molecular mechanisms for the subversion of MyD88 signaling by TcpC from virulent uropathogenic Escherichia coli.
Resolution1.449 Å
Binding residue
(original residue number in PDB)		P279 K282
Binding residue
(residue number reindexed from 1)		P127 K130
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0070976 TIR domain binding
Biological Process
GO:0002755 MyD88-dependent toll-like receptor signaling pathway
GO:0007165 signal transduction
GO:0043123 positive regulation of canonical NF-kappaB signal transduction

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Molecular Function
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Biological Process
External links
PDB RCSB:4eo7, PDBe:4eo7, PDBj:4eo7
PDBsum4eo7
PubMed23569230
UniProtQ99836|MYD88_HUMAN Myeloid differentiation primary response protein MyD88 (Gene Name=MYD88)

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