2025-08-16_00000101|ligand|7HQH

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_71; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1BJ0

InChI=1S/C15H16BrN5O/c1-8(5-12(22)17-2)20-14-13-10-4-3-9(16)6-11(10)21-15(13)19-7-18-14/h3-4,6-8H,5H2,1-2H3,(H,17,22)(H2,18,19,20,21)/t8-/m1/s1

C[C@H](CC(=O)NC)Nc1c2c3ccc(cc3[nH]c2ncn1)Br
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Reference