Y5S · (1S,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid

Binding sites

Y5S in 4 structures; the first of them:

• 7LKR · 1.65 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 2a · Y5S A402 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 9 more
• 7LKU · 1.65 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3b… · Y5S A402 · binds HIS41, TYR54, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 8 more
• 7LKR · 1.65 a resolution structure of SARS-cov-2 3CL protease in complex with inhibitor 2A · Y5S A402 · binds HIS41, MET49, TYR54, PHE140, LEU141, ASN142, GLY143, SER144 and 9 more
• 7LKU · 1.65 a resolution structure of SARS-cov-2 3CL protease in complex with inhibitor 3B… · Y5S A402 · binds HIS41, TYR54, PHE140, LEU141, ASN142, GLY143, SER144, CYS145 and 8 more

Residues it binds most

HIS 4, MET 4, ARG 4, ASN 4, ASP 4, CYS 4, GLN 4, GLU 4, GLY 4, LEU 4 (residue and the binding sites it lines).

Found with

• Y4D · (1R,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
• Y8Y · (1R,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
• Y91 · (1S,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
• PG4 · Tetraethylene glycol