2025-06-07_00000011|ligand|7HCM

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000348; X-ray diffraction 0.98Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1A5K

InChI=1S/C17H21N3O4/c1-10-5-6-20(8-12(10)17(23)24)16(22)11-3-4-14-13(7-11)18-15(9-21)19(14)2/h3-4,7,10,12,21H,5-6,8-9H2,1-2H3,(H,23,24)/t10-,12+/m1/s1

C[C@@H]1CCN(C[C@@H]1C(=O)O)C(=O)c2ccc3c(c2)nc(n3C)CO
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Reference