2026-10-31_00000087|ligand|15CX

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004053; X-ray diffraction 1.00Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DT3

InChI=1S/C15H14N8O/c1-22-12(6-16)10(7-19-22)11-5-9-14(20-11)17-8-18-15(9)21-23-4-2-3-13(23)24/h5,7-8H,2-4H2,1H3,(H2,17,18,20,21)

Cn1c(c(cn1)c2cc3c([nH]2)ncnc3NN4CCCC4=O)C#N
Non polymer #3 CL

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

[Cl-]
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Reference