2025-06-07_00000129|ligand|7HFW

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005216; X-ray diffraction 1.00Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1BB0

InChI=1S/C13H18N4/c1-9(2)11-4-3-7-17(11)13-10-5-6-14-12(10)15-8-16-13/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,14,15,16)/t11-/m1/s1

CC(C)[C@H]1CCCN1c2c3cc[nH]c3ncn2
Non polymer #3 CL

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

[Cl-]
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Reference