Structure of PDB 5afg Chain A Binding Site BS02

Receptor Information
>5afg Chain A (length=83) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDAAQQHIV
YCSNDLLGDLFGVPSFSVKEHRKIYTMIYRNLV
Ligand information
Ligand IDP07
InChIInChI=1S/C20H18N6/c1-3-25-19-15-11-7-5-9-13(15)18-20(26(4-2)24-22-18)16-12-8-6-10-14(16)17(19)21-23-25/h5-12H,3-4H2,1-2H3/b17-14+,18-13+,19-15+,20-16+
InChIKeyYRZRZRBFIALCLI-MKVCYXFSSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCn1nnc2c3ccccc3c4n(CC)nnc4c5ccccc5c12
OpenEye OEToolkits 1.7.6CCn1c-2c(nn1)-c3ccccc3-c4c(nnn4CC)-c5c2cccc5
ACDLabs 12.01n1nn(c4c1c5c(c2c(nnn2CC)c3ccccc34)cccc5)CC
FormulaC20 H18 N6
Name1,8-DIETHYL-1,8-DIHYDRODIBENZO[3,4:7,8][1,2,3]TRIAZOLO[4',5':5,6]CYCLOOCTA[1,2-D][1,2,3]TRIAZOLE
ChEMBL
DrugBank
ZINC
PDB chain5afg Chain B Residue 1030 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5afg Double Strain-Promoted Macrocyclization for the Rapid Selection of Cell-Active Stapled Peptides.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		F55 M62
Binding residue
(residue number reindexed from 1)		F30 M37
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.2.27: RING-type E3 ubiquitin transferase.
Gene Ontology
Biological Process
GO:0043066 negative regulation of apoptotic process
GO:0051726 regulation of cell cycle
Cellular Component
GO:0005634 nucleus

View graph for
Biological Process
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Cellular Component
External links
PDB RCSB:5afg, PDBe:5afg, PDBj:5afg
PDBsum5afg
PubMed26768531
UniProtQ00987|MDM2_HUMAN E3 ubiquitin-protein ligase Mdm2 (Gene Name=MDM2)

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