2026-10-31_00000301|ligand|15LE

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005241; X-ray diffraction 0.98Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D3N

InChI=1S/C11H14N4O2/c16-9-5-17-4-2-8(9)15-11-7-1-3-12-10(7)13-6-14-11/h1,3,6,8-9,16H,2,4-5H2,(H2,12,13,14,15)/t8-,9+/m0/s1

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

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

[Cl-]
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Reference