2026-10-31_00000168|ligand|15GA

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004834; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D1W

InChI=1S/C12H14N4O3/c17-5-8-6-19-4-3-16(8)12(18)10-9-1-2-13-11(9)15-7-14-10/h1-2,7-8,17H,3-6H2,(H,13,14,15)/t8-/m0/s1

c1c[nH]c2c1c(ncn2)C(=O)N3CCOC[C@@H]3CO
Non polymer #3 CL

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

[Cl-]
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Reference