2025-08-16_00000092|ligand|7HQ8

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_95; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1BKG

InChI=1S/C16H15F2N5O/c17-4-6-23-5-3-11(16(23)24)21-14-13-10-2-1-9(18)7-12(10)22-15(13)20-8-19-14/h1-2,7-8,11H,3-6H2,(H2,19,20,21,22)/t11-/m1/s1

c1cc2c(cc1F)[nH]c3c2c(ncn3)N[C@@H]4CCN(C4=O)CCF
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Reference