2026-10-31_00000065|ligand|15CB

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0001499; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D4P

InChI=1S/C14H14N6O/c15-9-4-1-3-8-11-13(18-12(8)9)16-7-17-14(11)19-20-6-2-5-10(20)21/h1,3-4,7H,2,5-6,15H2,(H2,16,17,18,19)

c1cc2c3c([nH]c2c(c1)N)ncnc3NN4CCCC4=O
Non polymer #3 CL

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

[Cl-]
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Reference