2026-10-31_00000160|ligand|15FS

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004813; X-ray diffraction 0.98Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DVD

InChI=1S/C13H14N4O2/c18-6-8-1-2-9(5-8)17-13(19)11-10-3-4-14-12(10)16-7-15-11/h1-4,7-9,18H,5-6H2,(H,17,19)(H,14,15,16)/t8-,9+/m1/s1

c1c[nH]c2c1c(ncn2)C(=O)N[C@@H]3C[C@@H](C=C3)CO
Non polymer #3 CL

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

[Cl-]
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Reference