2024-05-11_00000075|ligand|7H12

Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013388-001; X-ray diffraction 1.15Å
Protein #1 170 residues (99% resolved)

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE
Non polymer #2 A1ANX

InChI=1S/C22H24N6O2S/c1-13(2)20(15-6-5-14-4-3-7-31(29,30)19(14)8-15)28-22-17-9-18(16-10-25-26-11-16)27-21(17)23-12-24-22/h5-6,8-13,20H,3-4,7H2,1-2H3,(H,25,26)(H2,23,24,27,28)/t20-/m1/s1

CC(C)[C@@H](c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4ncn3)c5c[nH]nc5
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Reference