2025-04-26_00000046|medium|8ZAI

Crystal structure of SADS-CoV main protease in complex with N5084; X-ray diffraction 3.50Å
Protein #1 302 residues (99% resolved)

AGLKKMAQPSGLVEPCVVRVSYGNTVLNGVWLDDKVYCPRHVLASDTTVTIDYDAVYHSMRLHNFSISKGNVFLGVVGAVMQGANLVITVSQANVNTPSYSFRTLKAGECFNILACYDGTPAGVYGVNLRSTHTIKGSFVNGACGSPGFVMNGHKVEFVYMHQIELGNASHVGSDMFGNIYGGFEDQPSIQLEGVATLITENVIAFLYAALINGERWWCSNERCTIDSFNEWALGNGFTNLVSGDGFSMLAAKTGVDVCQLLSAIQRLATGLGGKTILGYASLTDEYTLSEVVRQMYGVNIQ

AGLKKMAQPSGLVEPCVVRVSYGNTVLNGVWLDDKVYCPRHVLASDTTVTIDYDAVYHSMRLHNFSISKGNVFLGVVGAVMQGANLVITVSQANVNTPSYSFRTLKAGECFNILACYDGTPAGVYGVNLRSTHTIKGSFVNGACGSPGFVMNGHKVEFVYMHQIELGNASHVGSDMFGNIYGGFEDQPSIQLEGVATLITENVIAFLYAALINGERWWCSNERCTIDSFNEWALGNGFTNLVSGDGFSMLAAKTGVDVCQLLSAIQRLATGLGGKTILGYASLTDEYTLSEVVRQMYGVNIQ
Non polymer #2 A1L1B

InChI=1S/C30H29FN4O3/c1-20(22-11-13-25(31)14-12-22)34-29(38)30(3,24-10-7-17-32-18-24)35(28(37)21(2)36)26-15-16-27(33-19-26)23-8-5-4-6-9-23/h4-21,36H,1-3H3,(H,34,38)/t20-,21+,30+/m0/s1

C[C@@H](c1ccc(cc1)F)NC(=O)[C@@](C)(c2cccnc2)N(c3ccc(nc3)c4ccccc4)C(=O)[C@@H](C)O
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Reference