2026-10-31_00000014|ligand|15AC

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000409; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DV4

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

c1ccc(c(c1)Nc2cc(ncn2)NN3CCCC3=O)F
Non polymer #3 CL

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

[Cl-]
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Reference