Structure of PDB 2x0v Chain B Binding Site BS02

Receptor Information

>2x0v Chain B (length=195) Species: 9606 (Homo sapiens)

SSVPSQKTYQGSYGFRLGFLHSGTAKSVTCTYSPALNKLFCQLAKTCPVQ
LWVDSTPPPGTRVRAMAIYKQSQHMTEVVRRCPHHERCSDSDGLAPPQHL
IRVEGNLRAEYLDDRNTFRHSVVVPCEPPEVGSDCTTIHYNYMCYSSCMG
GMNRRPILTIITLEDSSGNLLGRDSFEVRVCACPGRDRRTEEENL

Ligand information

• Ligand ID: X0V
• InChI: InChI=1S/C7H7F3N2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,11-12H2
• InChIKey: RQWJHUJJBYMJMN-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: FC(F)(F)c1cc(N)c(N)cc1
  OpenEye OEToolkits 1.6.1: c1cc(c(cc1C(F)(F)F)N)N
  CACTVS 3.352: Nc1ccc(cc1N)C(F)(F)F
• Formula: C7 H7 F3 N2
• Name: 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE
• ChEMBL: CHEMBL1236744
• ZINC: ZINC000000092915
• PDB chain: 2x0v Chain B Residue 1291

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2x0v Toward the Rational Design of P53-Stabilizing Drugs: Probing the Surface of the Oncogenic Y220C Mutant.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): L145 V147 C220 P223
• Binding residue (residue number reindexed from 1): L51 V53 C126 P129
• Annotation score: 1

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

External links

• PDB: RCSB:2x0v, PDBe:2x0v, PDBj:2x0v
• PDBsum: 2x0v
• PubMed: 20142040
• UniProt: P04637|P53_HUMAN Cellular tumor antigen p53 (Gene Name=TP53)