2025-08-16_00000078|ligand|7HPU

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1718_59; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1BJO

InChI=1S/C15H12FN5O2/c16-7-1-2-8-10(5-7)20-14-12(8)13(17-6-18-14)19-9-3-4-11(22)21-15(9)23/h1-2,5-6,9H,3-4H2,(H,21,22,23)(H2,17,18,19,20)/t9-/m0/s1

c1cc2c(cc1F)[nH]c3c2c(ncn3)N[C@H]4CCC(=O)NC4=O
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Reference