2026-10-31_00000359|ligand|15NK

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005419; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DUE

InChI=1S/C13H18N4O/c18-11-4-2-1-3-9(11)7-15-13-10-5-6-14-12(10)16-8-17-13/h5-6,8-9,11,18H,1-4,7H2,(H2,14,15,16,17)/t9-,11-/m1/s1

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

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

[Cl-]
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Reference