Hdmx (14-111; C17S) complexed with compound 16 at 1.20A; structural states of HDM2 and hdmx: X-ray elucidation of adaptations and binding interactions for different chemical compound classes

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 17% strand (DSSP).

Ligands and binding sites

• HRQ · 7-methoxy-~{N}-[(3~{S})-1-(4-methylphenyl)pyrrolidin-3-yl]-1~{H}-indole-3-carboxamide · ligand · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 943 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

• 6Q9Y · HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 16 AT 1.20A; Structural states of Hdm2 and… · the same entry in another collection · chain A against A, TM-score 1.00
• O15151 · AlphaFold monomer V2.0 prediction for protein MDM4 (O15151) · a predicted model of the same protein · chain A against A, TM-score 0.97

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt O15151
• Elsewhere: RCSB PDB 6Q9Y · PDBe 6Q9Y · UniProt O15151