2026-10-31_00000430|ligand|15QD

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005814; X-ray diffraction 0.95Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PRY

InChI=1S/C12H18N4O/c1-8(2)12(3,17)6-14-11-9-4-5-13-10(9)15-7-16-11/h4-5,7-8,17H,6H2,1-3H3,(H2,13,14,15,16)/t12-/m1/s1

CC(C)[C@@](C)(CNc1c2cc[nH]c2ncn1)O
Non polymer #3 CL

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

[Cl-]
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Reference