Structure of PDB 6ggc Chain B Binding Site BS02

Receptor Information

>6ggc Chain B (length=198) Species: 9606 (Homo sapiens)

SSSVPSQKTYQGSYGFRLGFLHSGTAKSVTCTYSPALNKLFCQLAKTCPV
QLWVDSTPPPGTRVRAMAIYKQSQHMTEVVRRCPHHERCSDSDGLAPPQH
LIRVEGNLRAEYLDDRNTFRHSVVVPCEPPEVGSDCTTIHYNYMCYSSCM
GGMNRRPILTIITLEDSSGNLLGRDSFEVRVCACPGRDRRTEEENLRK

Ligand information

• Ligand ID: EXN
• InChI: InChI=1S/C20H20N2O/c1-3-22-18-9-6-14(13-21-2)11-17(18)16-8-7-15(12-19(16)22)20-5-4-10-23-20/h4-12,21H,3,13H2,1-2H3/p+1
• InChIKey: UTFNBBWDJPFLJT-UHFFFAOYSA-O
• SMILES:
  OpenEye OEToolkits 2.0.6: CCn1c2ccc(cc2c3c1cc(cc3)c4ccco4)C[NH2+]C
  CACTVS 3.385: CCn1c2ccc(C[NH2+]C)cc2c3ccc(cc13)c4occc4
• Formula: C20 H21 N2 O
• Name: [9-ethyl-7-(furan-2-yl)carbazol-3-yl]methyl-methyl-azanium
• PDB chain: 6ggc Chain B Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ggc A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
• Resolution: 1.24 Å
• Binding residue (original residue number in PDB): L145 V147 P151 C220 E221 P222 P223 D228 T230
• Binding residue (residue number reindexed from 1): L52 V54 P58 C127 E128 P129 P130 D135 T137
• 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:6ggc, PDBe:6ggc, PDBj:6ggc
• PDBsum: 6ggc
• PubMed: 31633398
• UniProt: P04637|P53_HUMAN Cellular tumor antigen p53 (Gene Name=TP53)