2026-10-31_00000262|ligand|15JR

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005139; X-ray diffraction 0.97Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DST

InChI=1S/C13H18N4O/c18-7-5-9-2-1-3-11(9)17-13-10-4-6-14-12(10)15-8-16-13/h4,6,8-9,11,18H,1-3,5,7H2,(H2,14,15,16,17)/t9-,11+/m1/s1

c1c[nH]c2c1c(ncn2)N[C@H]3CCC[C@@H]3CCO
Non polymer #3 CL

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

[Cl-]
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Reference