2026-10-31_00000109|ligand|15DT

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004281; X-ray diffraction 0.95Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
Non polymer #3 LG1

InChI=1S/C16H15FN4OS/c17-10-1-2-12-13(4-10)20-15-14(12)16(19-8-18-15)21-5-9-3-11(21)7-23(22)6-9/h1-2,4,8-9,11H,3,5-7H2,(H,18,19,20)/t9-,11-,23+/m1/s1

c1cc2c(cc1F)[nH]c3c2c(ncn3)N4C[C@H]5C[C@@H]4CS(=O)C5
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Reference