Structure of PDB 6zz1 Chain B Binding Site BS01

Receptor Information
>6zz1 Chain B (length=140) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PGENLKHIITLGQVIHKRCEEMKYCKKQCRRLGHRVLGLIKPLEMLQDSV
PSEKLTTAMNRFKAALEEANGEIEKFSNRSNICRFLTASQDKILFKDVNR
KLSDVWKELSLLLQVEQRMPGASWAQEDQQDADEDRRAFQ
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 chain6zz1 Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6zz1 Locking mixed-lineage kinase domain-like protein in its auto-inhibited state prevents necroptosis.
Resolution1.64 Å
Binding residue
(original residue number in PDB)		Y23 C24 R82 C86 L89 D144 F148
Binding residue
(residue number reindexed from 1)		Y24 C25 R79 C83 L86 D135 F139
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:6zz1, PDBe:6zz1, PDBj:6zz1
PDBsum6zz1
PubMed33318170
UniProtQ8NB16|MLKL_HUMAN Mixed lineage kinase domain-like protein (Gene Name=MLKL)

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