2026-10-31_00000016|ligand|15AE

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000407; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DV6

InChI=1S/C13H12N6O/c20-9-4-2-6-19(9)18-13-10-8-3-1-5-14-11(8)17-12(10)15-7-16-13/h1,3,5,7H,2,4,6H2,(H2,14,15,16,17,18)

c1cc2c3c([nH]c2nc1)ncnc3NN4CCCC4=O
Non polymer #3 CL

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

[Cl-]
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Reference