2026-10-31_00000450|ligand|15QX

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004699; X-ray diffraction 0.93Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PSL

InChI=1S/C14H17N3O2/c18-14(10-3-7-19-8-4-10)17-9-11-1-5-15-13-12(11)2-6-16-13/h1-2,5-6,10H,3-4,7-9H2,(H,15,16)(H,17,18)

c1c[nH]c2c1c(ccn2)CNC(=O)C3CCOCC3
Non polymer #3 CL

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

[Cl-]
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Reference