2026-10-31_00000218|ligand|15HZ

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004978; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D1X

InChI=1S/C11H12N4O2/c16-4-6-3-8(6)15-11(17)9-7-1-2-12-10(7)14-5-13-9/h1-2,5-6,8,16H,3-4H2,(H,15,17)(H,12,13,14)/t6-,8-/m1/s1

c1c[nH]c2c1c(ncn2)C(=O)N[C@@H]3C[C@@H]3CO
Non polymer #3 CL

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

[Cl-]
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Reference