2025-08-16_00000083|ligand|7HPZ

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1705_34; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1BKN

InChI=1S/C22H23N5O3/c28-20(18-3-1-2-17(26-18)14-4-5-14)25-12-22(30)7-9-27(13-22)21(29)16-10-15-6-8-23-19(15)24-11-16/h1-3,6,8,10-11,14,30H,4-5,7,9,12-13H2,(H,23,24)(H,25,28)/t22-/m0/s1

c1cc(nc(c1)C(=O)NC[C@]2(CCN(C2)C(=O)c3cc4cc[nH]c4nc3)O)C5CC5
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Reference