PJR · [(1~{S},2~{R})-2-[4,4-bis(fluoranyl) cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$L^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Binding sites

PJR in 3 structures; the first of them:

• 8CZV · Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 17d · PJR A402 · binds HIS41, LEU49, TYR54, PHE143, LEU144, CYS145, GLY146, SER147 and 13 more
• 8CZV · Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 17D · PJR A402 · binds HIS41, LEU49, PHE143, LEU144, CYS145, GLY146, SER147, CYS148 and 12 more
• 8CZX · Structure of SARS-cov-2 3CL protease in complex with the cyclopropane based inhibitor 17D · PJR A401 · binds HIS41, PHE140, LEU141, ASN142, GLY143, SER144, CYS145, HIS163 and 10 more

Residues it binds most

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

Found with

• P8C · [(1~{S},2~{R})-2-[4,4-bis(fluoranyl) cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$L^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
• PG4 · Tetraethylene glycol