Novel SPIRO[3H-indole-3,2 -pyrrolidin]-2(1H)-one inhibitors of the MDM2-P53 interaction: HDM2 (MDM2) in complex with compound 14

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 19% strand (DSSP).

Ligands and binding sites

• 6SJ · 2-[(3~{S},3'~{a}~{S},6'~{S},6'~{a}~{S})-6-chloranyl-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxidanylidene-spiro[1~{H}-indole-3,5'-3,3~{a},6,6~{a}-tetrahydro-2~{H}-pyrrolo[3,2-b]pyrrole]-1'-yl]ethanoic acid · ligand · chains A
• SO4 · Sulfate ion · ion · 3 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Compared structures

• 5LAW · Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction… · the same entry in another collection · chain A against A, TM-score 1.00

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 Q00987
• Elsewhere: RCSB PDB 5LAW · PDBe 5LAW · UniProt Q00987