2026-10-31_00000126|ligand|15EK

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004370; X-ray diffraction 1.01Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PSU

InChI=1S/C18H22N4O/c1-11(2)16(9-23)22-18-14-8-15(21-17(14)19-10-20-18)13-7-5-4-6-12(13)3/h4-8,10-11,16,23H,9H2,1-3H3,(H2,19,20,21,22)/t16-/m0/s1

Cc1ccccc1c2cc3c([nH]2)ncnc3N[C@@H](CO)C(C)C
Non polymer #3 CL

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

[Cl-]
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Reference