2026-10-31_00000202|ligand|15HJ

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004930; X-ray diffraction 1.00Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D1J

InChI=1S/C13H15N5O/c19-13-10(4-6-18(13)8-1-2-8)17-12-9-3-5-14-11(9)15-7-16-12/h3,5,7-8,10H,1-2,4,6H2,(H2,14,15,16,17)/t10-/m1/s1

c1c[nH]c2c1c(ncn2)N[C@@H]3CCN(C3=O)C4CC4
Non polymer #3 CL

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

[Cl-]
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Reference