2026-10-31_00000156
|
ligand
|
15FO
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004803;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D1P
InChI=1S/C12H12N4O2/c17-8-3-7(4-8)5-14-12(18)10-9-1-2-13-11(9)16-6-15-10/h1-2,6-7H,3-5H2,(H,14,18)(H,13,15,16)
InChI=1S/C12H12N4O2/c17-8-3-7(4-8)5-14-12(18)10-9-1-2-13-11(9)16-6-15-10/h1-2,6-7H,3-5H2,(H,14,18)(H,13,15,16)
SMILES: c1c[nH]c2c1c(ncn2)C(=O)NCC3CC(=O)C3
c1c[nH]c2c1c(ncn2)C(=O)NCC3CC(=O)C3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%