2025-08-16_00000085|ligand|7HQ1

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1696_67; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1BKM

InChI=1S/C13H15BrN4O/c1-7(14)4-5-10(19)18-13-11-8(2)9(3)17-12(11)15-6-16-13/h6H,1,4-5H2,2-3H3,(H2,15,16,17,18,19)

Cc1c([nH]c2c1c(ncn2)NC(=O)CCC(=C)Br)C
Non polymer #3 CL

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

[Cl-]
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Reference