2026-10-31_00000084|ligand|15CU

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003579; X-ray diffraction 1.04Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DSW

InChI=1S/C18H18N4O4S/c23-17(15-13-6-7-19-16(13)21-11-20-15)22-14(12-4-2-1-3-5-12)8-18(24)9-27(25,26)10-18/h1-7,11,14,24H,8-10H2,(H,22,23)(H,19,20,21)/t14-/m1/s1

c1ccc(cc1)[C@@H](CC2(CS(=O)(=O)C2)O)NC(=O)c3c4cc[nH]c4ncn3
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Reference