2024-05-11_00000072|ligand|7H0Z

Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013269-001; X-ray diffraction 1.23Å
Protein #1 170 residues (99% resolved)

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE
Non polymer #2 A1ANS

InChI=1S/C20H25N5O4S2/c1-12(2)18(14-7-6-13-5-4-8-30(26,27)16(13)9-14)25-20-15-10-17(31(28,29)21-3)24-19(15)22-11-23-20/h6-7,9-12,18,21H,4-5,8H2,1-3H3,(H2,22,23,24,25)/t18-/m1/s1

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