2026-10-31_00000167|ligand|15FZ

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004833; X-ray diffraction 1.00Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D1V

InChI=1S/C12H14N4O2/c17-6-9-4-8(9)5-13-12(18)10-2-1-3-11-14-7-15-16(10)11/h1-3,7-9,17H,4-6H2,(H,13,18)/t8-,9-/m0/s1

c1cc(n2c(c1)ncn2)C(=O)NC[C@@H]3C[C@H]3CO
Non polymer #3 CL

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

[Cl-]
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Reference