2026-10-31_00000031|ligand|15AT

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000673; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PR6

InChI=1S/C18H17N5O3/c1-26-18(25)13-9-12-16(21-13)19-10-20-17(12)22-23-14(7-8-15(23)24)11-5-3-2-4-6-11/h2-6,9-10,14H,7-8H2,1H3,(H2,19,20,21,22)/t14-/m0/s1

COC(=O)c1cc2c([nH]1)ncnc2NN3[C@@H](CCC3=O)c4ccccc4
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Reference