2025-08-16_00000090|ligand|7HQ6

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1702_11; X-ray diffraction 1.01Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1BJJ

InChI=1S/C21H23N5O3/c1-13-16(3-2-4-18(13)27)19(28)23-14-5-7-15(8-6-14)24-20(29)17-9-11-26-12-10-22-21(26)25-17/h2-4,9-12,14-15,27H,5-8H2,1H3,(H,23,28)(H,24,29)/t14-,15+

Cc1c(cccc1O)C(=O)NC2CCC(CC2)NC(=O)c3ccn4ccnc4n3
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Reference