Structure of PDB 2x0u Chain B Binding Site BS01

Receptor Information
>2x0u 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 IDX0U
InChIInChI=1S/C9H8N2O2S/c10-9-11-5-3-6-7(4-8(5)14-9)13-2-1-12-6/h3-4H,1-2H2,(H2,10,11)
InChIKeyIURPFIBKOPUBIT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352Nc1sc2cc3OCCOc3cc2n1
OpenEye OEToolkits 1.6.1c1c2c(cc3c1OCCO3)sc(n2)N
ACDLabs 10.04O2c3cc1sc(nc1cc3OCC2)N
FormulaC9 H8 N2 O2 S
Name6,7-DIHYDRO[1,4]DIOXINO[2,3-F][1,3]BENZOTHIAZOL-2-AMINE
ChEMBLCHEMBL1236743
DrugBank
ZINCZINC000000254825
PDB chain2x0u 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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PDB2x0u Toward the Rational Design of P53-Stabilizing Drugs: Probing the Surface of the Oncogenic Y220C Mutant.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		V147 T150 P151 C220
Binding residue
(residue number reindexed from 1)		V51 T54 P55 C124
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:2x0u, PDBe:2x0u, PDBj:2x0u
PDBsum2x0u
PubMed20142040
UniProtP04637|P53_HUMAN Cellular tumor antigen p53 (Gene Name=TP53)

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