2024-05-11_00000067|ligand|7H0U

Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013775-001; X-ray diffraction 1.47Å
Protein #1 170 residues (98% resolved)

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE
Non polymer #2 A1ANK

InChI=1S/C25H25N7O2S/c1-15(2)23(18-6-5-16-4-3-9-35(33,34)21(16)10-18)30-25-19-12-20(29-24(19)26-13-27-25)17-7-8-32-14-28-31-22(32)11-17/h5-8,10-15,23H,3-4,9H2,1-2H3,(H2,26,27,29,30)/t23-/m0/s1

CC(C)[C@@H](c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4ncn3)c5ccn6cnnc6c5
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Reference