Structure of PDB 8dc4 Chain C Binding Site BS02

Receptor Information
>8dc4 Chain C (length=197) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSSSVPSQKTYQGSYGFRLGFLHSGTAKSVTSTYSPALNKLFCQLAKTCP
VQLWVDSTPPPGTRVRAMAIYKQSQHMTEVVRRCPHHERSSDSDGLAPPQ
HLIRVEGNLRVEYLDDRNTFRHSVVVPCEPPEVGSDSTTIHYNYMCYSSC
MGGMNRRPILTIITLEDSSGNLLGRDSFEVRVSASPGRDRRTEEENL
Ligand information
Ligand IDR3R
InChIInChI=1S/C16H13NO2/c1-2-16(19)17-14-6-4-3-5-12(14)13-9-11(10-18)7-8-15(13)17/h3-10H,2H2,1H3
InChIKeyMSWITDIZQVDNBJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC(=O)n1c2ccccc2c3c1ccc(c3)C=O
ACDLabs 12.01CCC(=O)n1c2ccccc2c2cc(C=O)ccc21
CACTVS 3.385CCC(=O)n1c2ccccc2c3cc(C=O)ccc13
FormulaC16 H13 N O2
Name 9-propanoyl-9H-carbazole-3-carbaldehyde, bound form
ChEMBL
DrugBank
ZINC
PDB chain8dc4 Chain C Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8dc4 A Small Molecule Reacts with the p53 Somatic Mutant Y220C to Rescue Wild-type Thermal Stability.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		L145 W146 V147 T150 C220 E221 P222 P223 D228 T230
Binding residue
(residue number reindexed from 1)		L53 W54 V55 T58 C128 E129 P130 P131 D136 T138
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:8dc4, PDBe:8dc4, PDBj:8dc4
PDBsum8dc4
PubMed36197521
UniProtP04637|P53_HUMAN Cellular tumor antigen p53 (Gene Name=TP53)

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