2024-05-11_00000061|ligand|7H0O

Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0012310-001; X-ray diffraction 1.18Å
Protein #1 170 residues (98% resolved)

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE
Non polymer #2 A1AMT

InChI=1S/C18H21N5O2S/c1-11(2)15(23-18-16-17(20-9-19-16)21-10-22-18)13-6-5-12-4-3-7-26(24,25)14(12)8-13/h5-6,8-11,15H,3-4,7H2,1-2H3,(H2,19,20,21,22,23)/t15-/m0/s1

CC(C)[C@@H](c1ccc2c(c1)S(=O)(=O)CCC2)Nc3c4c([nH]cn4)ncn3
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Reference