2026-10-31_00000369|ligand|15NU

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005460; X-ray diffraction 1.00Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DXI

InChI=1S/C13H17N3O3/c14-12(19)15-10-3-1-9(2-4-10)11(18)16-13(5-6-13)7-8-17/h1-4,17H,5-8H2,(H,16,18)(H3,14,15,19)

c1cc(ccc1C(=O)NC2(CC2)CCO)NC(=O)N
Non polymer #3 CL

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

[Cl-]
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Reference