O6K · ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate

Binding sites

O6K in 8 structures; the first of them:

• 6Y2G · Crystal structure (orthorhombic form) of the complex resulting from the reaction between… · O6K A694 · binds THR26, LEU27, HIS41, MET49, PHE140, LEU141, ASN142, GLY143 and 13 more
• 8C9O · Crystal structure of SARS-CoV-2 Mpro-S144A mutant in complex with 13b-K · O6K AAA401 · binds THR26, LEU27, HIS41, MET49, PHE140, LEU141, ASN142, GLY143 and 13 more
• 8C9Q · Crystal structure of SARS-CoV-2 Mpro-Q189K mutant in complex with 13b-K · O6K AAA401 · binds THR26, HIS41, PHE140, ASN142, GLY143, SER144, CYS145, HIS163 and 9 more
• 8CAC · Crystal structure of SARS-CoV-2 Mpro-H172Y mutant in complex with 13b-K · O6K AAA401 · binds THR26, HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143 and 12 more
• 8R1Q · SARS-CoV-2 Mpro (Omicron, P132H+T169S) in complex with alpha-ketoamide 13b-K · O6K B401 · binds THR26, LEU27, HIS41, MET49, PHE140, LEU141, ASN142, GLY143 and 14 more
• 8R26 · SARS-CoV-2 Mpro (Omicron,P132H) in complex with alpha-ketoamide 13b-K at pH 8.5 · O6K A401 · binds THR26, LEU27, HIS41, MET49, TYR54, PHE140, LEU141, ASN142 and 14 more
• 6Y2F · Crystal structure (monoclinic form) of the complex resulting from the reaction between… · O6K A502 · binds THR26, HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144 and 10 more
• 6Y2G · Crystal structure (orthorhombic form) of the complex resulting from the reaction between… · O6K A402 · binds THR26, HIS41, MET49, PHE140, LEU141, ASN142, GLY143, SER144 and 10 more

Residues it binds most

HIS 17, LEU 17, MET 17, SER 17, THR 17, ASN 17, ASP 17, CYS 17, GLU 17, GLY 17 (residue and the binding sites it lines).

Found with

• CL · Chloride ion
• DMS · Dimethyl sulfoxide