2026-10-31_00000049|ligand|15BL

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000741; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DWC

InChI=1S/C21H23N5O3/c1-21(2,3)29-20(28)15-11-14-18(24-15)22-12-23-19(14)25-26-16(9-10-17(26)27)13-7-5-4-6-8-13/h4-8,11-12,16H,9-10H2,1-3H3,(H2,22,23,24,25)/t16-/m0/s1

CC(C)(C)OC(=O)c1cc2c([nH]1)ncnc2NN3[C@@H](CCC3=O)c4ccccc4
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Reference