2026-10-31_00000414|ligand|15PN

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005558; X-ray diffraction 0.95Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PSH

InChI=1S/C14H18N4O2/c19-11-3-1-2-9(11)4-6-16-14(20)12-10-5-7-15-13(10)18-8-17-12/h5,7-9,11,19H,1-4,6H2,(H,16,20)(H,15,17,18)/t9-,11+/m1/s1

c1c[nH]c2c1c(ncn2)C(=O)NCC[C@H]3CCC[C@@H]3O
Non polymer #3 CL

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

[Cl-]
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Reference