2026-10-31_00000470|ligand|15RR

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005783; X-ray diffraction 0.98Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PS9

InChI=1S/C14H16N4O/c19-14(6-9-1-2-10(14)5-9)7-16-13-11-3-4-15-12(11)17-8-18-13/h1-4,8-10,19H,5-7H2,(H2,15,16,17,18)/t9-,10+,14-/m1/s1

c1c[nH]c2c1c(ncn2)NC[C@@]3(C[C@H]4C[C@@H]3C=C4)O
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Reference