2025-06-07_00000053|ligand|7HDS

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003641; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1A81

InChI=1S/C13H18N4O/c18-7-10(6-9-2-1-3-9)17-13-11-4-5-14-12(11)15-8-16-13/h4-5,8-10,18H,1-3,6-7H2,(H2,14,15,16,17)/t10-/m0/s1

c1c[nH]c2c1c(ncn2)N[C@@H](CC3CCC3)CO
Non polymer #3 CL

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

[Cl-]
Non polymer #4 TFA

InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)

C(=O)(C(F)(F)F)O
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Reference