2026-10-31_00000117|ligand|15EB

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004266; X-ray diffraction 0.95Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DWZ

InChI=1S/C16H22N6O/c1-9(2)14(7-23)21-16-11-5-13(20-15(11)17-8-18-16)12-6-19-22(4)10(12)3/h5-6,8-9,14,23H,7H2,1-4H3,(H2,17,18,20,21)/t14-/m0/s1

Cc1c(cnn1C)c2cc3c([nH]2)ncnc3N[C@@H](CO)C(C)C
Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
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Reference