2026-10-31_00000346|ligand|15MX

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005389; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D3C

InChI=1S/C16H12N4O2/c21-16(14-12-3-5-17-15(12)20-9-19-14)18-8-10-1-2-13-11(7-10)4-6-22-13/h1-7,9H,8H2,(H,18,21)(H,17,19,20)

c1cc2c(cco2)cc1CNC(=O)c3c4cc[nH]c4ncn3
Non polymer #3 CL

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

[Cl-]
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Reference