2026-10-31_00000315|ligand|15LS

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005295; X-ray diffraction 0.98Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D2R

InChI=1S/C17H25N5O2/c1-11-7-12(21-16(23)24-17(2,3)4)9-22(8-11)15-13-5-6-18-14(13)19-10-20-15/h5-6,10-12H,7-9H2,1-4H3,(H,21,23)(H,18,19,20)/t11-,12-/m0/s1

C[C@H]1C[C@@H](CN(C1)c2c3cc[nH]c3ncn2)NC(=O)OC(C)(C)C
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Reference