2026-10-31_00000451|ligand|15QY

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004702; X-ray diffraction 0.95Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PSM

InChI=1S/C15H12FN3O/c16-13-4-2-1-3-12(13)15(20)19-9-10-5-7-17-14-11(10)6-8-18-14/h1-8H,9H2,(H,17,18)(H,19,20)

c1ccc(c(c1)C(=O)NCc2ccnc3c2cc[nH]3)F
Non polymer #3 CL

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

[Cl-]
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Reference