2026-10-31_00000178|ligand|15GK

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004879; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DX7

InChI=1S/C19H19N5O3/c25-18(15-5-2-8-27-15)24-13-4-1-3-12(9-13)10-21-19(26)16-14-6-7-20-17(14)23-11-22-16/h1,3-4,6-7,9,11,15H,2,5,8,10H2,(H,21,26)(H,24,25)(H,20,22,23)/t15-/m1/s1

c1cc(cc(c1)NC(=O)[C@H]2CCCO2)CNC(=O)c3c4cc[nH]c4ncn3
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Reference