2025-08-16_00000079|ligand|7HPV

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1879_22; X-ray diffraction 1.00Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1BJN

InChI=1S/C16H15Cl2N3O4S2/c1-9(22)20-15-19-8-13(26-15)27(24,25)21-14(23)16(5-2-6-16)10-3-4-11(17)12(18)7-10/h3-4,7-8H,2,5-6H2,1H3,(H,21,23)(H,19,20,22)

CC(=O)Nc1ncc(s1)S(=O)(=O)NC(=O)C2(CCC2)c3ccc(c(c3)Cl)Cl
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Reference