2024-02-03_00000111
|
ligand
|
8J6X
Crystal structure of SARS-CoV2 N-NTD complexed with 5-Benzyloxygramine derivative (P3-8);
X-ray diffraction 2.70Å
Protein #1
155 residues (83% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSHMRPQGLPNNTASWFTALTQHGKEDLKFPRGQGVPINTNSSPDDQIGYYRRATRRIRGGDGKMKDLSPRWYFYYLGTGPEAGLPYGANKDGIIWVATEGALNTPKDHIGTRNPANNAAIVLQLPQGTTLPKGFYAE
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSHMRPQGLPNNTASWFTALTQHGKEDLKFPRGQGVPINTNSSPDDQIGYYRRATRRIRGGDGKMKDLSPRWYFYYLGTGPEAGLPYGANKDGIIWVATEGALNTPKDHIGTRNPANNAAIVLQLPQGTTLPKGFYAE
Non polymer #2
U2H
InChI=1S/C20H24N2O/c1-3-11-22(2)14-17-13-21-20-10-9-18(12-19(17)20)23-15-16-7-5-4-6-8-16/h4-10,12-13,21H,3,11,14-15H2,1-2H3
InChI=1S/C20H24N2O/c1-3-11-22(2)14-17-13-21-20-10-9-18(12-19(17)20)23-15-16-7-5-4-6-8-16/h4-10,12-13,21H,3,11,14-15H2,1-2H3
SMILES: CCCN(C)Cc1c[nH]c2c1cc(cc2)OCc3ccccc3
CCCN(C)Cc1c[nH]c2c1cc(cc2)OCc3ccccc3
Biounit #1
homo-tetramer
Download coordinates
Tube
Model
Reference
100%