2026-10-31_00000094|ligand|15DE

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004129; X-ray diffraction 1.01Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DWD

InChI=1S/C14H12FN5O2/c15-6-1-2-7-8(3-6)19-12-10(7)13(18-5-17-12)20-11-9(21)4-16-14(11)22/h1-3,5,9,11,21H,4H2,(H,16,22)(H2,17,18,19,20)/t9-,11-/m1/s1

c1cc2c(cc1F)[nH]c3c2c(ncn3)N[C@@H]4[C@@H](CNC4=O)O
Non polymer #3 CL

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

[Cl-]
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Reference