2026-10-31_00000317|ligand|15LU

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005299; X-ray diffraction 0.98Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D28

InChI=1S/C14H19N5O2S/c20-22(21)8-2-7-19(22)11-3-1-6-18(9-11)14-12-4-5-15-13(12)16-10-17-14/h4-5,10-11H,1-3,6-9H2,(H,15,16,17)/t11-/m0/s1

c1c[nH]c2c1c(ncn2)N3CCC[C@@H](C3)N4CCCS4(=O)=O
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Reference