2025-08-16_00000020|ligand|7HI5

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000737; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1A7B

InChI=1S/C18H15N5OS/c24-15-8-7-13(14-6-3-9-25-14)23(15)22-18-16-11-4-1-2-5-12(11)21-17(16)19-10-20-18/h1-6,9-10,13H,7-8H2,(H2,19,20,21,22)/t13-/m0/s1

c1ccc2c(c1)c3c([nH]2)ncnc3NN4[C@@H](CCC4=O)c5cccs5
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Reference