Structure of PDB 8dc6 Chain D Binding Site BS02

Receptor Information
>8dc6 Chain D (length=192) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMSSSVPSQKTYQGSYGFRLGFLHVTSTYSPALNKLFCQLAKTCPVQLWV
DSTPPPGTRVRAMAIYKQSQHMTEVVRRCPHHERSSDSDGLAPPQHLIRV
EGNLRVEYLDDRNTFRHSVVVPCEPPEVGSDSTTIHYNYMCYSSCMGGMN
RRPILTIITLEDSSGNLLGRDSFEVRVSASPGRDRRTEEENL
Ligand information
Ligand IDR4F
InChIInChI=1S/C13H13NO2/c1-9(2)13(16)14-7-10(8-15)11-5-3-4-6-12(11)14/h3-9H,1-2H3
InChIKeyGAZDTEOBGBWWLL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(C)C(=O)n1cc(C=O)c2ccccc12
ACDLabs 12.01CC(C)C(=O)n1cc(C=O)c2ccccc21
OpenEye OEToolkits 2.0.7CC(C)C(=O)n1cc(c2c1cccc2)C=O
FormulaC13 H13 N O2
Name 1-(2-methylprop-2-enoyl)-1H-indole-3-carbaldehyde, bound form
ChEMBL
DrugBank
ZINCZINC000049815776
PDB chain8dc6 Chain D Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8dc6 A Small Molecule Reacts with the p53 Somatic Mutant Y220C to Rescue Wild-type Thermal Stability.
Resolution1.60001 Å
Binding residue
(original residue number in PDB)		L145 V147 V157 V218 P219 C220 S227 D228 S229 T230
Binding residue
(residue number reindexed from 1)		L48 V50 V60 V121 P122 C123 S130 D131 S132 T133
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000976 transcription cis-regulatory region binding
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0006915 apoptotic process
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8dc6, PDBe:8dc6, PDBj:8dc6
PDBsum8dc6
PubMed36197521
UniProtP04637|P53_HUMAN Cellular tumor antigen p53 (Gene Name=TP53)

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