Human 26S proteasome in complex with oprozomib

Structure

electron microscopy · 39 distinct chains · 35% helix, 15% strand (DSSP).

Ligands and binding sites

• ADP · Adenosine-5'-diphosphate · ligand · 6 copies · chains c, d, h, e, f, g
• 7C9 · O-methyl-L-serine · ligand · 4 copies · chains K, L, Y, Z
• 6V9 · 2-methyl-1,3-thiazole-5-carboxylic acid · ligand · 2 copies · chains L, Y, Z
• 6VA · (3~{R},4~{S})-4-azanyl-2-methyl-5-phenyl-pentane-2,3-diol · ligand · 2 copies · chains K, Y

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Interfaces

142 interfaces between chains.

• f–g · 3433 Ų buried · 31 hydrogen bonds · protein-protein
• c–d · 3017 Ų buried · 41 hydrogen bonds · protein-protein
• c–g · 2852 Ų buried · 23 hydrogen bonds · protein-protein
• e–f · 2841 Ų buried · 34 hydrogen bonds · protein-protein
• e–h · 2090 Ų buried · 23 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 15 covalent, 7 isopeptide, 5 disulfide (covalent ligand, isopeptide, disulfide).

Compared structures

• 5M32 · Human 26S proteasome in complex with Oprozomib · the same entry in another collection · chain K against K, 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
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• Elsewhere: RCSB PDB 5M32 · PDBe 5M32 · UniProt P25787 · UniProt P25789 · UniProt O14818 · UniProt P28066 · UniProt P25786 · UniProt P25788 · UniProt P60900 · UniProt Q99436 · UniProt P49720 · UniProt P49721 · UniProt P28074 · UniProt P20618 · UniProt P28070 · UniProt P28072 · UniProt P35998 · UniProt P62191 · UniProt P43686 · UniProt P62333 · UniProt P17980 · UniProt P62195 · UniProt Q99460 · UniProt O43242 · UniProt O00232 · UniProt O00231 · UniProt Q15008 · UniProt P51665 · UniProt Q9UNM6 · UniProt P55036 · UniProt O00487 · UniProt P48556 · UniProt P60896