Novel SPIRO[3H-indole-3,2 -pyrrolidin]-2(1H)-one inhibitors of the MDM2-P53 interaction: HDM2 (MDM2) in complex with compound bi-0252

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 18% strand (DSSP).

Ligands and binding sites

• 6ST · 4-[(2~{R},3~{A}~{S},5~{S},6~{S},6~{A}~{S})-6'-chloranyl-6-(3-chloranyl-2-fluoranyl-phenyl)-4-(cyclopropylmethyl)-2'-oxidanylidene-spiro[1,2,3, 3~{A},6,6~{A}-hexahydropyrrolo[3,2-b]pyrrole-5,3'-1~{H}-indole]-2-yl]benzoic acid · ligand · chains A
• ZN · Zinc ion · metal · chains A
• SO4 · Sulfate ion · ion · 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

• 5LAZ · 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 5LAZ · PDBe 5LAZ · UniProt Q00987