2026-10-31_00000154|ligand|15FM

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004798; X-ray diffraction 1.00Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D1A

InChI=1S/C15H20N4O2/c20-12-4-2-1-3-10(12)5-7-17-15(21)13-11-6-8-16-14(11)19-9-18-13/h6,8-10,12,20H,1-5,7H2,(H,17,21)(H,16,18,19)/t10-,12+/m0/s1

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

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

[Cl-]
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Reference