2026-10-31_00000442|ligand|15QP

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005833; X-ray diffraction 0.97Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PQF

InChI=1S/C13H14N4O2/c1-13(18,10-3-2-6-19-10)7-15-12-9-4-5-14-11(9)16-8-17-12/h2-6,8,18H,7H2,1H3,(H2,14,15,16,17)/t13-/m1/s1

C[C@@](CNc1c2cc[nH]c2ncn1)(c3ccco3)O
Non polymer #3 CL

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

[Cl-]
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Reference