2026-10-31_00000051|ligand|15BN

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000710; X-ray diffraction 1.01Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PP6

InChI=1S/C12H15N5O/c1-7-5-9-11(15-7)13-6-14-12(9)16-17-8(2)3-4-10(17)18/h5-6,8H,3-4H2,1-2H3,(H2,13,14,15,16)/t8-/m0/s1

Cc1cc2c([nH]1)ncnc2NN3[C@H](CCC3=O)C
Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
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Reference