Structure of PDB 5ab9 Chain A Binding Site BS02

Receptor Information
>5ab9 Chain A (length=195) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVPSQKTYQGSYGFRLGFLHSGTAKSVTCTYSPALNKLFCQLAKTCPVQL
WVDSTPPPGTRVRAMAIYKQSQHMTEVVRRCPHHERCSDSDGLAPPQHLI
RVEGNLRAEYLDDRNTFRHSVVVPCEPPEVGSDCTTIHYNYMCYSSCMGG
MNRRPILTIITLEDSSGNLLGRDSFEVRVCACPGRDRRTEEENLR
Ligand information
Ligand ID92O
InChIInChI=1S/C15H20N2/c1-2-11-4-3-5-13-14(10-17-15(11)13)12-6-8-16-9-7-12/h3-5,10,12,16-17H,2,6-9H2,1H3
InChIKeyUNCXOQBRFONUFS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CCc1cccc2c1[nH]cc2C3CCNCC3
FormulaC15 H20 N2
Name7-ethyl-3-(piperidin-4-yl)-1H-indole
ChEMBLCHEMBL5305628
DrugBank
ZINCZINC000036379753
PDB chain5ab9 Chain A Residue 1292 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ab9 Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53.
Resolution1.36 Å
Binding residue
(original residue number in PDB)		L145 V147 T150 C220 P222 P223 T230
Binding residue
(residue number reindexed from 1)		L50 V52 T55 C125 P127 P128 T135
Annotation score1
Binding affinityMOAD: Kd=470uM
PDBbind-CN: -logKd/Ki=6.33,Kd=470nM
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:5ab9, PDBe:5ab9, PDBj:5ab9
PDBsum5ab9
PubMed26636255
UniProtP04637|P53_HUMAN Cellular tumor antigen p53 (Gene Name=TP53)

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