Structure of PDB 8a32 Chain B Binding Site BS01

Receptor Information
>8a32 Chain B (length=199) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSSVPSQKTYQGSYGFRLGFLHSGTAKSVTCTYSPALNKLFCQLAKTCPV
QLWVDSTPPPGTRVRAMAIYKQSQHMTEVVRRCPHHERCSDSDGLAPPQH
LIRVEGNLRAEYLDDRNTFRHSVVVPCEPPEVGSDCTTIHYNYMCYSSCM
GGMNRRPILTIITLEDSSGNLLGRDSFEVRVCACPGRDRRTEEENLRKK
Ligand information
Ligand IDKVA
InChIInChI=1S/C11H5F2I2NO3/c12-5-2-16(3-6(5)13)9-7(14)1-4(11(18)19)10(17)8(9)15/h1-3,17H,(H,18,19)
InChIKeyFESMMSZGNQNLCH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)c1cc(I)c(n2cc(F)c(F)c2)c(I)c1O
OpenEye OEToolkits 2.0.7c1c(c(c(c(c1I)n2cc(c(c2)F)F)I)O)C(=O)O
FormulaC11 H5 F2 I2 N O3
Name4-[3,4-bis(fluoranyl)pyrrol-1-yl]-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid
ChEMBL
DrugBank
ZINC
PDB chain8a32 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8a32 Discovery of Nanomolar-Affinity Pharmacological Chaperones Stabilizing the Oncogenic p53 Mutant Y220C.
Resolution1.47 Å
Binding residue
(original residue number in PDB)		L145 V147 T150 P151 C220 E221 P222 P223 T230
Binding residue
(residue number reindexed from 1)		L52 V54 T57 P58 C127 E128 P129 P130 T137
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:8a32, PDBe:8a32, PDBj:8a32
PDBsum8a32
PubMed36407959
UniProtP04637|P53_HUMAN Cellular tumor antigen p53 (Gene Name=TP53)

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