Structure of PDB 8srx Chain D Binding Site BS01

Receptor Information
>8srx Chain D (length=75) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASTKKLSESLKRIGDELDSNMELQRMIAAVDTDSPREVFFRVAADMFSDG
NFNWGRVVALFYFASKLVLKALSTK
Ligand information
Ligand IDK6G
InChIInChI=1S/C24H51NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3,(H,28,29)
InChIKeySCBAYHQXYOJTRE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N](C)(C)C)O
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N](C)(C)C)O
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO[P](O)(=O)OCC[N](C)(C)C
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCC[N](C)(C)C
FormulaC24 H51 N O7 P
Name[(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate
ChEMBL
DrugBank
ZINC
PDB chain8srx Chain D 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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PDB8srx Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Resolution2.09 Å
Binding residue
(original residue number in PDB)		F100 G103 L113 F114
Binding residue
(residue number reindexed from 1)		F47 G50 L60 F61
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0042981 regulation of apoptotic process

View graph for
Biological Process
External links
PDB RCSB:8srx, PDBe:8srx, PDBj:8srx
PDBsum8srx
PubMed38088212
UniProtQ07812|BAX_HUMAN Apoptosis regulator BAX (Gene Name=BAX)

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