2026-10-31_00000142|ligand|15FA

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004635; X-ray diffraction 1.03Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DVC

InChI=1S/C20H23N7O2/c1-20(2)9-8-14(28)27(20)26-18-15-12-4-3-5-13(24-19(29)23-11-6-7-11)16(12)25-17(15)21-10-22-18/h3-5,10-11H,6-9H2,1-2H3,(H2,23,24,29)(H2,21,22,25,26)

CC1(CCC(=O)N1Nc2c3c4cccc(c4[nH]c3ncn2)NC(=O)NC5CC5)C
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Reference