2026-10-31_00000281|ligand|15KK

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005188; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D2J

InChI=1S/C16H19N7O/c1-22-9-11(7-21-22)16(24)18-8-12-3-2-6-23(12)15-13-4-5-17-14(13)19-10-20-15/h4-5,7,9-10,12H,2-3,6,8H2,1H3,(H,18,24)(H,17,19,20)/t12-/m1/s1

Cn1cc(cn1)C(=O)NC[C@H]2CCCN2c3c4cc[nH]c4ncn3
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Reference