2026-10-31_00000121|ligand|15EF

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004277; X-ray diffraction 0.93Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D4Z

InChI=1S/C17H16FN5O/c18-10-2-3-11-12(6-10)22-14-13(11)15(21-9-20-14)23-7-17(8-23)4-1-5-19-16(17)24/h2-3,6,9H,1,4-5,7-8H2,(H,19,24)(H,20,21,22)

c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CC5(C4)CCCNC5=O
Non polymer #3 CL

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

[Cl-]
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Reference