Structure of PDB 6zpr Chain A Binding Site BS01

Receptor Information
>6zpr Chain A (length=157) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSPGENLKHIITLGQVIHKRCEEMKYCKKQCRRLGHRVLGLIKPLEMLQD
QGKRSVPSEKLTTAMNRFKAALEEANGEIEKFSNRSNICRFLTASQDKIL
FKDVNRKLSDVWKELSLLLQVEQRMPVSPISQGASWAQEDQQDADEDRRA
FQMLRRD
Ligand information
Ligand IDQOK
InChIInChI=1S/C11H16N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)7-19-5-4-18-3/h6H,4-5,7H2,1-3H3
InChIKeyBSIZPWZVMIVPIN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1c2c(n(cn2)COCCOC)C(=O)N(C1=O)C
CACTVS 3.385COCCOCn1cnc2N(C)C(=O)N(C)C(=O)c12
FormulaC11 H16 N4 O4
Name7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione
ChEMBL
DrugBank
ZINC
PDB chain6zpr Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6zpr Locking mixed-lineage kinase domain-like protein in its auto-inhibited state prevents necroptosis.
ResolutionN/A
Binding residue
(original residue number in PDB)		R82 I85 C86 L89 F148 L151
Binding residue
(residue number reindexed from 1)		R85 I88 C89 L92 F151 L154
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0007166 cell surface receptor signaling pathway

View graph for
Biological Process
External links
PDB RCSB:6zpr, PDBe:6zpr, PDBj:6zpr
PDBsum6zpr
PubMed33318170
UniProtQ8NB16|MLKL_HUMAN Mixed lineage kinase domain-like protein (Gene Name=MLKL)

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