2025-08-16_00000003|ligand|7HC7

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodmain in complex with AVI-4051; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1A00

InChI=1S/C18H19N7O2/c26-13-5-2-8-25(13)24-17-14-11-3-1-4-12(22-18(27)21-10-6-7-10)15(11)23-16(14)19-9-20-17/h1,3-4,9-10H,2,5-8H2,(H2,21,22,27)(H2,19,20,23,24)

c1cc2c3c([nH]c2c(c1)NC(=O)NC4CC4)ncnc3NN5CCCC5=O
Non polymer #3 CL

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

[Cl-]
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Reference