2024-05-11_00000033|ligand|7GZW

Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0012338-001; X-ray diffraction 1.15Å
Protein #1 170 residues (99% resolved)

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE
Non polymer #2 A1AK4

InChI=1S/C27H29N5O3S/c1-16(2)24(19-10-9-17-8-5-11-36(34,35)23(17)13-19)32-26-21-14-22(31-25(21)29-15-30-26)18-6-4-7-20(12-18)27(33)28-3/h4,6-7,9-10,12-16,24H,5,8,11H2,1-3H3,(H,28,33)(H2,29,30,31,32)/t24-/m0/s1

CC(C)[C@@H](c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4cc([nH]c4ncn3)c5cccc(c5)C(=O)NC
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Reference