2026-10-31_00000040
|
ligand
|
15BC
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000726;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PQN
InChI=1S/C11H9ClF3N5O/c12-10-17-8-7(5(4-16-8)11(13,14)15)9(18-10)19-20-3-1-2-6(20)21/h4H,1-3H2,(H2,16,17,18,19)
InChI=1S/C11H9ClF3N5O/c12-10-17-8-7(5(4-16-8)11(13,14)15)9(18-10)19-20-3-1-2-6(20)21/h4H,1-3H2,(H2,16,17,18,19)
SMILES: c1c(c2c([nH]1)nc(nc2NN3CCCC3=O)Cl)C(F)(F)F
c1c(c2c([nH]1)nc(nc2NN3CCCC3=O)Cl)C(F)(F)F
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%