2026-10-31_00000093|ligand|15DD

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004060; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PSD

InChI=1S/C15H14FN5O/c16-9-4-5-10-11(7-9)19-14-13(10)15(18-8-17-14)20-21-6-2-1-3-12(21)22/h4-5,7-8H,1-3,6H2,(H2,17,18,19,20)

c1cc2c(cc1F)[nH]c3c2c(ncn3)NN4CCCCC4=O
Non polymer #3 CL

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

[Cl-]
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Reference