2026-10-31_00000347|ligand|15MY

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005395; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D3D

InChI=1S/C18H25N5O2/c24-18(22-13-5-2-1-3-6-13)25-11-14-7-4-10-23(14)17-15-8-9-19-16(15)20-12-21-17/h8-9,12-14H,1-7,10-11H2,(H,22,24)(H,19,20,21)/t14-/m1/s1

c1c[nH]c2c1c(ncn2)N3CCC[C@@H]3COC(=O)NC4CCCCC4
Download coordinates
Download coordinates
Reference