2026-10-31_00000324|ligand|15MB

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005317; X-ray diffraction 1.00Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DW8

InChI=1S/C13H16N4O2/c1-8(13(18)19)10-3-2-6-17(10)12-9-4-5-14-11(9)15-7-16-12/h4-5,7-8,10H,2-3,6H2,1H3,(H,18,19)(H,14,15,16)/t8-,10+/m0/s1

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

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

[Cl-]
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Reference