2024-05-11_00000074|ligand|7H11

Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013392-001; X-ray diffraction 1.30Å
Protein #1 170 residues (99% resolved)

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE
Non polymer #2 A1ANW

InChI=1S/C23H26N4O3S/c1-14(2)21(16-6-5-15-4-3-9-31(28,29)20(15)10-16)27-23-18-11-19(17-7-8-30-12-17)26-22(18)24-13-25-23/h5-7,10-11,13-14,21H,3-4,8-9,12H2,1-2H3,(H2,24,25,26,27)/t21-/m1/s1

CC(C)[C@@H](c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4ncn3)C5=CCOC5
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Reference