2025-08-09_00000142|ligand|7IK0

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 POB0211 (Mac1-x10525); X-ray diffraction 1.37Å
Protein #1 170 residues (98% resolved)

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE
Non polymer #2 A1CL5

InChI=1S/C14H14N2O2/c17-14(18)11-3-1-2-10(11)9-4-5-12-13(8-9)16-7-6-15-12/h4-8,10-11H,1-3H2,(H,17,18)/t10-,11+/m0/s1

c1cc2c(cc1[C@@H]3CCC[C@H]3C(=O)O)nccn2
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Reference