2026-10-31_00000272|ligand|15KB

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005445; X-ray diffraction 0.97Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DSG

InChI=1S/C16H16FN5O/c17-13-4-1-6-19-16(13)23-11-3-2-8-22(9-11)15-12-5-7-18-14(12)20-10-21-15/h1,4-7,10-11H,2-3,8-9H2,(H,18,20,21)/t11-/m1/s1

c1cc(c(nc1)O[C@@H]2CCCN(C2)c3c4cc[nH]c4ncn3)F
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Reference