2025-08-16_00000082|ligand|7HPY

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_91; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1BKO

InChI=1S/C15H15FN4O/c1-15(5-9(21)6-15)20-14-12-10-3-2-8(16)4-11(10)19-13(12)17-7-18-14/h2-4,7,9,21H,5-6H2,1H3,(H2,17,18,19,20)/t9-,15+

CC1(CC(C1)O)Nc2c3c4ccc(cc4[nH]c3ncn2)F
Non polymer #3 CL

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

[Cl-]
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Reference