2026-10-31_00000397|ligand|15OW

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005684; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DXK

InChI=1S/C11H15ClN4O/c1-6(2)8(4-17)15-10-7-3-9(12)16-11(7)14-5-13-10/h3,5-6,8,17H,4H2,1-2H3,(H2,13,14,15,16)/t8-/m0/s1

CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)Cl
Non polymer #3 CL

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

[Cl-]
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Reference