2026-10-31_00000088|ligand|15CY

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004059; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DT4

InChI=1S/C17H19FN4O/c1-17(2,23)13-4-3-7-22(13)16-14-11-6-5-10(18)8-12(11)21-15(14)19-9-20-16/h5-6,8-9,13,23H,3-4,7H2,1-2H3,(H,19,20,21)/t13-/m0/s1

CC(C)([C@@H]1CCCN1c2c3c4ccc(cc4[nH]c3ncn2)F)O
Non polymer #3 CL

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

[Cl-]
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Reference