2024-05-11_00000034|ligand|7GZX

Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011176-001; X-ray diffraction 1.15Å
Protein #1 170 residues (98% resolved)

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE
Non polymer #2 A1AK5

InChI=1S/C25H29N5O3S/c1-15(2)23(17-7-6-16-5-4-8-34(31,32)22(16)10-17)30-25-20-11-21(29-24(20)27-14-28-25)18-9-19(12-26-3)33-13-18/h6-7,9-11,13-15,23,26H,4-5,8,12H2,1-3H3,(H2,27,28,29,30)/t23-/m0/s1

CC(C)[C@@H](c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4ncn3)c5cc(oc5)CNC
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Reference