2026-10-31_00000336|ligand|15MN

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005344; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DWL

InChI=1S/C15H20N4O/c1-11(2)13(9-20)19-15-8-14(16-10-17-15)18-12-6-4-3-5-7-12/h3-8,10-11,13,20H,9H2,1-2H3,(H2,16,17,18,19)/t13-/m0/s1

CC(C)[C@H](CO)Nc1cc(ncn1)Nc2ccccc2
Non polymer #3 CL

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

[Cl-]
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Reference