2026-10-31_00000048|ligand|15BK

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000704; X-ray diffraction 1.00Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DWA

InChI=1S/C12H14ClN5O/c1-6-7(2)14-10-9(6)11(16-12(13)15-10)17-18-5-3-4-8(18)19/h3-5H2,1-2H3,(H2,14,15,16,17)

Cc1c([nH]c2c1c(nc(n2)Cl)NN3CCCC3=O)C
Non polymer #3 CL

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

[Cl-]
Download coordinates
Download coordinates
Reference