2026-10-31_00000268|ligand|15JX

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005151; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D2Y

InChI=1S/C15H23N3O3/c1-3-12(5-4-10-19)17-14(20)11-6-8-13(9-7-11)18-15(21)16-2/h6-9,12,19H,3-5,10H2,1-2H3,(H,17,20)(H2,16,18,21)/t12-/m1/s1

CC[C@H](CCCO)NC(=O)c1ccc(cc1)NC(=O)NC
Non polymer #3 CL

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

[Cl-]
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Reference