2026-10-31_00000329|ligand|15MG

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005326; X-ray diffraction 0.98Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DYI

InChI=1S/C13H19N5/c14-7-11(9-3-1-2-4-9)18-13-10-5-6-15-12(10)16-8-17-13/h5-6,8-9,11H,1-4,7,14H2,(H2,15,16,17,18)/t11-/m1/s1

c1c[nH]c2c1c(ncn2)N[C@H](CN)C3CCCC3
Non polymer #3 CL

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

[Cl-]
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Reference