2025-08-09_00000144|ligand|7IK2

Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group -- Crystal Structure of SARS-CoV-2 NSP3 Macrodomain in complex with POB0228 (Mac1-x10558); X-ray diffraction 1.15Å
Protein #1 170 residues (98% resolved)

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE
Non polymer #2 A1CL8

InChI=1S/C14H13N3O3S/c15-13(20)17-14-16-10-5-4-7(6-11(10)21-14)8-2-1-3-9(8)12(18)19/h4-6H,1-3H2,(H,18,19)(H3,15,16,17,20)

c1cc2c(cc1C3=C(CCC3)C(=O)O)sc(n2)NC(=O)N
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Reference