2026-10-31_00000025|ligand|15AN

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000663; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DTS

InChI=1S/C12H13N5O3/c1-20-12(19)8-5-7-10(15-8)13-6-14-11(7)16-17-4-2-3-9(17)18/h5-6H,2-4H2,1H3,(H2,13,14,15,16)

COC(=O)c1cc2c([nH]1)ncnc2NN3CCCC3=O
Non polymer #3 CL

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

[Cl-]
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Reference