2026-08-22_00000288
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ligand
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7IMW
Group deposition for crystallographic fragment screening of SARS-CoV-2 nucleocapsid protein (CTD) -- Crystal Structure of SARS-CoV-2 nucleocapsid protein (CTD) in complex with Z28870646 (Nprot-x0615);
X-ray diffraction 1.69Å
Protein #1
117 residues (99% resolved)
Raw Sequence ...
SMSAAEASKKPRQKRTATKAYNVTQAFGRRGPEQTQGNFGDQELIRQGTDYKHWPQIAQFAPSASAFFGMSRIGMEVTPSGTWLTYTGAIKLDDKDPNFKDQVILLNKHIDAYKTFP
Canonical Sequence ...
SMSAAEASKKPRQKRTATKAYNVTQAFGRRGPEQTQGNFGDQELIRQGTDYKHWPQIAQFAPSASAFFGMSRIGMEVTPSGTWLTYTGAIKLDDKDPNFKDQVILLNKHIDAYKTFP
Non polymer #2
IPA
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
SMILES: CC(C)O
CC(C)O
Non polymer #3
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Non polymer #4
TVP
InChI=1S/C12H15NO/c1-9-7-8-11-5-3-4-6-12(11)13(9)10(2)14/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1
InChI=1S/C12H15NO/c1-9-7-8-11-5-3-4-6-12(11)13(9)10(2)14/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1
SMILES: C[C@H]1CCc2ccccc2N1C(=O)C
C[C@H]1CCc2ccccc2N1C(=O)C
Biounit #1
homo-dimer
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Model
Reference
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