2025-06-07_00000065|ligand|7HE4

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003658; X-ray diffraction 1.00Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1A9G

InChI=1S/C12H16N4O3/c17-6-8(5-10-18-3-4-19-10)16-12-9-1-2-13-11(9)14-7-15-12/h1-2,7-8,10,17H,3-6H2,(H2,13,14,15,16)/t8-/m0/s1

c1c[nH]c2c1c(ncn2)N[C@@H](CC3OCCO3)CO
Non polymer #3 CL

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

[Cl-]
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Reference