Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2- oxopyrrolidin-3-YL)BUTAN-2-yl)-2-cinnamamido-4-methylpentanamide (cinnamoyl-leucine-glnlactam-co-co-nh-benzyl)

Structure

x-ray diffraction · 2 distinct chains.

Ligands and binding sites

• E8E · (2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide · ligand · 3 copies · chains A, B, C
• SO4 · Sulfate ion · ion · chains A
• GOL · Glycerol · additive · 5 copies · chains A, B, C
• DMS · Dimethyl sulfoxide · additive · 2 copies · chains A

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

Compared structures

• 6FV1 · Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide… · 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 P0C6X5
• Elsewhere: RCSB PDB 6FV1 · PDBe 6FV1 · UniProt P0C6X5