2025-08-16_00000093|ligand|7HQ9

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1690_45; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1BJ8

InChI=1S/C15H21N5O/c1-8-9(2)19-14-12(8)13(17-7-18-14)16-6-10-15(3,4)5-11(21)20-10/h7,10H,5-6H2,1-4H3,(H,20,21)(H2,16,17,18,19)/t10-/m1/s1

Cc1c([nH]c2c1c(ncn2)NC[C@@H]3C(CC(=O)N3)(C)C)C
Non polymer #3 CL

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

[Cl-]
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Reference