2026-10-31_00000322|ligand|15LZ

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005312; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D3Z

InChI=1S/C12H16N4O/c17-7-4-9-2-1-6-16(9)12-10-3-5-13-11(10)14-8-15-12/h3,5,8-9,17H,1-2,4,6-7H2,(H,13,14,15)/t9-/m0/s1

c1c[nH]c2c1c(ncn2)N3CCC[C@H]3CCO
Non polymer #3 CL

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

[Cl-]
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Reference