2026-01-24_00000016|ligand|13RX

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006344; X-ray diffraction 1.04Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1CX6

InChI=1S/C19H21N9O4S/c1-26-15(8-20)13(9-23-26)14-7-12-16(24-14)21-11-22-17(12)25-28-18(29)32-10-19(28)3-5-27(6-4-19)33(2,30)31/h7,9,11H,3-6,10H2,1-2H3,(H2,21,22,24,25)

Cn1c(c(cn1)c2cc3c([nH]2)ncnc3NN4C(=O)OCC45CCN(CC5)S(=O)(=O)C)C#N
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Reference