2026-10-31_00000373|ligand|15NY

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005467; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D37

InChI=1S/C12H18N4O/c1-8(2)10(17)4-6-14-12-9-3-5-13-11(9)15-7-16-12/h3,5,7-8,10,17H,4,6H2,1-2H3,(H2,13,14,15,16)/t10-/m0/s1

CC(C)[C@H](CCNc1c2cc[nH]c2ncn1)O
Non polymer #3 CL

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

[Cl-]
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Reference