2025-06-07_00000113|ligand|7HFG

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004308; X-ray diffraction 1.04Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1BA7

InChI=1S/C13H16F2N4O/c14-13(15)4-2-12(20,3-5-13)7-17-11-9-1-6-16-10(9)18-8-19-11/h1,6,8,20H,2-5,7H2,(H2,16,17,18,19)

c1c[nH]c2c1c(ncn2)NCC3(CCC(CC3)(F)F)O
Non polymer #3 CL

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

[Cl-]
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Reference