2026-02-14_00000512|ligand|9VUU

Crystal structure of SADS-CoV main protease (Lys35Val) in complex with 27h; X-ray diffraction 2.40Å
Protein #1 302 residues (100% resolved)

AGLKKMAQPSGLVEPCVVRVSYGNTVLNGVWLDDVVYCPRHVLASDTTVTIDYDAVYHSMRLHNFSISKGNVFLGVVGAVMQGANLVITVSQANVNTPSYSFRTLKAGECFNILACYDGTPAGVYGVNLRSTHTIKGSFVNGACGSPGFVMNGHKVEFVYMHQIELGNASHVGSDMFGNIYGGFEDQPSIQLEGVATLITENVIAFLYAALINGERWWCSNERCTIDSFNEWALGNGFTNLVSGDGFSMLAAKTGVDVCQLLSAIQRLATGLGGKTILGYASLTDEYTLSEVVRQMYGVNIQ

AGLKKMAQPSGLVEPCVVRVSYGNTVLNGVWLDDVVYCPRHVLASDTTVTIDYDAVYHSMRLHNFSISKGNVFLGVVGAVMQGANLVITVSQANVNTPSYSFRTLKAGECFNILACYDGTPAGVYGVNLRSTHTIKGSFVNGACGSPGFVMNGHKVEFVYMHQIELGNASHVGSDMFGNIYGGFEDQPSIQLEGVATLITENVIAFLYAALINGERWWCSNERCTIDSFNEWALGNGFTNLVSGDGFSMLAAKTGVDVCQLLSAIQRLATGLGGKTILGYASLTDEYTLSEVVRQMYGVNIQ
Non polymer #2 OF9

InChI=1S/C28H32F4N4O4/c29-27(30)11-9-19(10-12-27)26(40)36-17-28(31,32)15-22(36)24(38)35-21(14-18-6-2-1-3-7-18)23(37)25(39)34-16-20-8-4-5-13-33-20/h1-8,13,19,21-23,37H,9-12,14-17H2,(H,34,39)(H,35,38)/t21-,22-,23+/m1/s1

c1ccc(cc1)C[C@H]([C@@H](C(=O)NCc2ccccn2)O)NC(=O)[C@H]3CC(CN3C(=O)C4CCC(CC4)(F)F)(F)F
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Reference