2026-10-31_00000116|ligand|15EA

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004265; X-ray diffraction 0.98Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DWY

InChI=1S/C13H13N7O/c21-11-2-1-5-20(11)19-13-8-6-10(9-3-4-16-18-9)17-12(8)14-7-15-13/h3-4,6-7H,1-2,5H2,(H,16,18)(H2,14,15,17,19)

c1cn[nH]c1c2cc3c([nH]2)ncnc3NN4CCCC4=O
Non polymer #3 CL

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

[Cl-]
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Reference