2025-08-16_00000105|ligand|7HQL

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_78; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1BJW

InChI=1S/C15H14FN5O2/c16-9-1-2-10-11(7-9)20-14-12(10)13(18-8-19-14)17-3-4-21-5-6-23-15(21)22/h1-2,7-8H,3-6H2,(H2,17,18,19,20)

c1cc2c(cc1F)[nH]c3c2c(ncn3)NCCN4CCOC4=O
Non polymer #3 CL

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

[Cl-]
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Reference