Structure of PDB 6uxq Chain A Binding Site BS02

Receptor Information
>6uxq Chain A (length=84) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPLGSSTMGQVGRQLAIIGDDINRRYDSEFQTMLQHLQPTAENAYEYFTK
IATSLFESGINWGRVVALLGFGYRLALHVYQHGL
Ligand information
Ligand IDC8E
InChIInChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3
InChIKeyFEOZZFHAVXYAMB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O(CCCCCCCC)CCOCCOCCOCCO
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCOCCOCCOCCOCCO
FormulaC16 H34 O5
Name(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE
ChEMBL
DrugBankDB04233
ZINCZINC000014881140
PDB chain6uxq Chain A Residue 505 [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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PDB6uxq BAK core dimers bind lipids and can be bridged by them.
Resolution1.696 Å
Binding residue
(original residue number in PDB)		E120 S121
Binding residue
(residue number reindexed from 1)		E57 S58
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:6uxq, PDBe:6uxq, PDBj:6uxq
PDBsum6uxq
PubMed32929280
UniProtQ16611|BAK_HUMAN Bcl-2 homologous antagonist/killer (Gene Name=BAK1)

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