Structure of PDB 2x0w Chain B Binding Site BS01

Receptor Information
>2x0w Chain B (length=194) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPSQKTYQGSYGFRLGFLHSGTAKSVTCTYSPALNKLFCQLAKTCPVQLW
VDSTPPPGTRVRAMAIYKQSQHMTEVVRRCPHHERCSDSDGLAPPQHLIR
VEGNLRAEYLDDRNTFRHSVVVPCEPPEVGSDCTTIHYNYMCYSSCMGGM
NRRPILTIITLEDSSGNLLGRDSFEVRVCACPGRDRRTEEENLR
Ligand information
Ligand IDX0W
InChIInChI=1S/C10H11NO2S/c1-6-11-7-4-8(12-2)9(13-3)5-10(7)14-6/h4-5H,1-3H3
InChIKeySOWIEKUNTPLSOC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1Cc1nc2cc(c(cc2s1)OC)OC
CACTVS 3.352COc1cc2sc(C)nc2cc1OC
ACDLabs 10.04n1c2cc(OC)c(OC)cc2sc1C
FormulaC10 H11 N O2 S
Name5,6-DIMETHOXY-2-METHYL-1,3-BENZOTHIAZOLE
ChEMBL
DrugBank
ZINCZINC000001786835
PDB chain2x0w Chain B Residue 1291 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2x0w Toward the Rational Design of P53-Stabilizing Drugs: Probing the Surface of the Oncogenic Y220C Mutant.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		V147 T150 P151 C220 P222 P223
Binding residue
(residue number reindexed from 1)		V51 T54 P55 C124 P126 P127
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:2x0w, PDBe:2x0w, PDBj:2x0w
PDBsum2x0w
PubMed20142040
UniProtP04637|P53_HUMAN Cellular tumor antigen p53 (Gene Name=TP53)

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