Endothia aspartic proteinase (endothiapepsin) complexed with pd-133, 450 (sot phe GLY+SCC gcl)

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 45% strand (DSSP).

Ligands and binding sites

• 0QF · N-[(1S)-2-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nalpha-(morp holin-4-ylsulfonyl)-L-phenylalaninamide · ligand · chains E
• SO4 · Sulfate ion · ion · 2 copies · chains E

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.

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

• 1EPQ · Endothia aspartic proteinase (endothiapepsin) complexed with pd-133,450 (sot phe GLY+SCC… · the same entry in another collection · chain E against E, TM-score 1.00
• P11838 · AlphaFold monomer V2.0 prediction for endothiapepsin (P11838) · a predicted model of the same protein · chain E against A, TM-score 0.99

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 P11838
• Elsewhere: RCSB PDB 1EPQ · PDBe 1EPQ · UniProt P11838