2026-10-31_00000395|ligand|15OU

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005677; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D4D

InChI=1S/C13H17N3O4/c1-8(12(18)20-2)7-15-11(17)9-3-5-10(6-4-9)16-13(14)19/h3-6,8H,7H2,1-2H3,(H,15,17)(H3,14,16,19)/t8-/m0/s1

C[C@@H](CNC(=O)c1ccc(cc1)NC(=O)N)C(=O)OC
Non polymer #3 CL

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

[Cl-]
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Reference