Structure of PDB 5ezu Chain A Binding Site BS01

Receptor Information
>5ezu Chain A (length=76) Species: 10254 (Vaccinia virus WR) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAFDISVNASKTINALVYFSTQQNKLVIRNEVNDTHYTVEFDRDKVVDTF
ISYNRHNDTIEIRGVLPEETNIGCAV
Ligand information
Ligand IDMYR
InChIInChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
InChIKeyTUNFSRHWOTWDNC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCC(O)=O
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCC(=O)O
ACDLabs 12.01O=C(O)CCCCCCCCCCCCC
FormulaC14 H28 O2
NameMYRISTIC ACID
ChEMBLCHEMBL111077
DrugBankDB08231
ZINCZINC000001530417
PDB chain5ezu Chain A Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ezu Vaccinia Virus Immunomodulator A46: A Lipid and Protein-Binding Scaffold for Sequestering Host TIR-Domain Proteins.
Resolution1.55 Å
Binding residue
(original residue number in PDB)
F3 N30
Binding residue
(residue number reindexed from 1)
F3 N30
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5ezu, PDBe:5ezu, PDBj:5ezu
PDBsum5ezu
PubMed27973613
UniProtP26672|PG176_VACCW Protein OPG176 (Gene Name=OPG176)

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