2026-10-31_00000141|ligand|15EZ

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005781; X-ray diffraction 0.97Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DR7

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

c1c[nH]c2c1c(ncn2)C(=O)NCC3=CC(=O)C=CN3
Non polymer #3 CL

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

[Cl-]
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Reference