Structure of PDB 5ab9 Chain A Binding Site BS03

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 1293 [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)		T150 P151 P152 P153 C220
Binding residue
(residue number reindexed from 1)		T55 P56 P57 P58 C125
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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