2026-01-24_00000014|ligand|13RV

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006319; X-ray diffraction 1.00Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1CX4

InChI=1S/C18H18N8O3/c1-25-14(7-19)12(8-22-25)13-6-11-15(23-13)20-10-21-16(11)24-26-17(27)29-9-18(26)2-4-28-5-3-18/h6,8,10H,2-5,9H2,1H3,(H2,20,21,23,24)

Cn1c(c(cn1)c2cc3c([nH]2)ncnc3NN4C(=O)OCC45CCOCC5)C#N
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Reference