2026-10-31_00000363|ligand|15NO

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005439; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DWP

InChI=1S/C13H11N5O2/c19-10-3-1-2-8(18-10)6-15-13(20)11-9-4-5-14-12(9)17-7-16-11/h1-5,7H,6H2,(H,15,20)(H,18,19)(H,14,16,17)

c1c[nH]c2c1c(ncn2)C(=O)NCC3=CC=CC(=O)N3
Non polymer #3 CL

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

[Cl-]
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Reference