2026-10-31_00000135|ligand|15ET

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006004; X-ray diffraction 1.00Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DYT

InChI=1S/C12H15N5O/c1-12(2)5-14-11(18)8(12)17-10-7-3-4-13-9(7)15-6-16-10/h3-4,6,8H,5H2,1-2H3,(H,14,18)(H2,13,15,16,17)/t8-/m0/s1

CC1(CNC(=O)[C@@H]1Nc2c3cc[nH]c3ncn2)C
Non polymer #3 CL

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

[Cl-]
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Reference