2024-05-11_00000089|ligand|7H1G

Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0012329-001; X-ray diffraction 1.24Å
Protein #1 170 residues (98% resolved)

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE
Non polymer #2 A1AOC

InChI=1S/C23H26N6O2S/c1-14(2)21(16-7-6-15-5-4-8-32(30,31)20(15)9-16)28-23-18-10-19(17-11-26-29(3)12-17)27-22(18)24-13-25-23/h6-7,9-14,21H,4-5,8H2,1-3H3,(H2,24,25,27,28)/t21-/m0/s1

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