2024-05-11_00000036|ligand|7GZZ

Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011184-001; X-ray diffraction 1.17Å
Protein #1 170 residues (98% resolved)

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE
Non polymer #2 A1AK7

InChI=1S/C25H29N7O3S/c1-15(2)23(17-7-6-16-5-4-8-36(34,35)21(16)9-17)31-25-19-10-20(30-24(19)27-14-28-25)18-11-29-32(12-18)13-22(33)26-3/h6-7,9-12,14-15,23H,4-5,8,13H2,1-3H3,(H,26,33)(H2,27,28,30,31)/t23-/m0/s1

CC(C)[C@@H](c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4ncn3)c5cnn(c5)CC(=O)NC
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Reference