2024-02-03_00000103
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ligand
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8IV3
Crystal structure of SARS-CoV2 N-NTD complexed with 5-Benzyloxygramine;
X-ray diffraction 1.90Å
Protein #1
155 residues (83% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSHMRPQGLPNNTASWFTALTQHGKEDLKFPRGQGVPINTNSSPDDQIGYYRRATRRIRGGDGKMKDLSPRWYFYYLGTGPEAGLPYGANKDGIIWVATEGALNTPKDHIGTRNPANNAAIVLQLPQGTTLPKGFYAE
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSHMRPQGLPNNTASWFTALTQHGKEDLKFPRGQGVPINTNSSPDDQIGYYRRATRRIRGGDGKMKDLSPRWYFYYLGTGPEAGLPYGANKDGIIWVATEGALNTPKDHIGTRNPANNAAIVLQLPQGTTLPKGFYAE
Non polymer #2
DJU
InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3
InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3
SMILES: CN(C)Cc1c[nH]c2c1cc(cc2)OCc3ccccc3
CN(C)Cc1c[nH]c2c1cc(cc2)OCc3ccccc3
Biounit #1
homo-tetramer
Download coordinates
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Model
Reference
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