2026-10-31_00000165|ligand|15FX

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004823; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D1T

InChI=1S/C12H14N4O3S/c17-12(14-6-8-2-1-5-20(8,18)19)10-9-3-4-13-11(9)16-7-15-10/h3-4,7-8H,1-2,5-6H2,(H,14,17)(H,13,15,16)/t8-/m0/s1

c1c[nH]c2c1c(ncn2)C(=O)NC[C@@H]3CCCS3(=O)=O
Non polymer #3 CL

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

[Cl-]
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Reference