2026-10-31_00000013|ligand|15AB

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000408; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DV3

InChI=1S/C14H14FN5O/c15-10-3-1-4-11(7-10)18-12-8-13(17-9-16-12)19-20-6-2-5-14(20)21/h1,3-4,7-9H,2,5-6H2,(H2,16,17,18,19)

c1cc(cc(c1)F)Nc2cc(ncn2)NN3CCCC3=O
Non polymer #3 CL

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

[Cl-]
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Reference