2024-05-11_00000080|ligand|7H17

Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013389-001; X-ray diffraction 1.19Å
Protein #1 170 residues (99% resolved)

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE
Non polymer #2 A1AN2

InChI=1S/C23H25N7O2S/c1-13(2)20(15-6-5-14-4-3-7-33(31,32)19(14)8-15)30-22-17-9-18(29-21(17)27-12-28-22)16-10-25-23(24)26-11-16/h5-6,8-13,20H,3-4,7H2,1-2H3,(H2,24,25,26)(H2,27,28,29,30)/t20-/m1/s1

CC(C)[C@@H](c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4ncn3)c5cnc(nc5)N
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Reference