2026-10-31_00000127|ligand|15EL

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004368; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DV2

InChI=1S/C17H19N5O3/c1-10(2)14(8-23)21-17-12-7-13(20-16(12)18-9-19-17)11-5-3-4-6-15(11)22(24)25/h3-7,9-10,14,23H,8H2,1-2H3,(H2,18,19,20,21)/t14-/m0/s1

CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c3ccccc3[N+](=O)[O-]
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Reference