2025-06-07_00000116|ligand|7HFJ

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004313; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1BBK

InChI=1S/C13H16N4O2/c18-13(6-19-9-3-8(13)4-9)5-15-12-10-1-2-14-11(10)16-7-17-12/h1-2,7-9,18H,3-6H2,(H2,14,15,16,17)/t8-,9+,13-/m0/s1

c1c[nH]c2c1c(ncn2)NC[C@@]3(COC4CC3C4)O
Non polymer #3 CL

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

[Cl-]
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Reference