2026-10-31_00000378|ligand|15OD

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005481; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PQ1

InChI=1S/C12H16N4O/c1-12(3-4-12)9(6-17)16-11-8-2-5-13-10(8)14-7-15-11/h2,5,7,9,17H,3-4,6H2,1H3,(H2,13,14,15,16)/t9-/m0/s1

CC1(CC1)[C@H](CO)Nc2c3cc[nH]c3ncn2
Non polymer #3 CL

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

[Cl-]
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Reference