Structure of PDB 2x0v Chain B Binding Site BS01

Receptor Information
>2x0v Chain B (length=195) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSVPSQKTYQGSYGFRLGFLHSGTAKSVTCTYSPALNKLFCQLAKTCPVQ
LWVDSTPPPGTRVRAMAIYKQSQHMTEVVRRCPHHERCSDSDGLAPPQHL
IRVEGNLRAEYLDDRNTFRHSVVVPCEPPEVGSDCTTIHYNYMCYSSCMG
GMNRRPILTIITLEDSSGNLLGRDSFEVRVCACPGRDRRTEEENL
Ligand information
Ligand IDX0V
InChIInChI=1S/C7H7F3N2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,11-12H2
InChIKeyRQWJHUJJBYMJMN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04FC(F)(F)c1cc(N)c(N)cc1
OpenEye OEToolkits 1.6.1c1cc(c(cc1C(F)(F)F)N)N
CACTVS 3.352Nc1ccc(cc1N)C(F)(F)F
FormulaC7 H7 F3 N2
Name4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE
ChEMBLCHEMBL1236744
DrugBank
ZINCZINC000000092915
PDB chain2x0v Chain B Residue 1290 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2x0v Toward the Rational Design of P53-Stabilizing Drugs: Probing the Surface of the Oncogenic Y220C Mutant.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		T150 P151 P153 C220 E221 P222
Binding residue
(residue number reindexed from 1)		T56 P57 P59 C126 E127 P128
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:2x0v, PDBe:2x0v, PDBj:2x0v
PDBsum2x0v
PubMed20142040
UniProtP04637|P53_HUMAN Cellular tumor antigen p53 (Gene Name=TP53)

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