2026-10-31_00000034|ligand|15AW

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000678; X-ray diffraction 1.01Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PQM

InChI=1S/C13H16ClN5O/c1-6-4-5-9(20)19(6)18-12-10-7(2)8(3)15-11(10)16-13(14)17-12/h6H,4-5H2,1-3H3,(H2,15,16,17,18)/t6-/m0/s1

Cc1c([nH]c2c1c(nc(n2)Cl)NN3[C@H](CCC3=O)C)C
Non polymer #3 CL

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

[Cl-]
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Reference