2025-01-04_00000109
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ligand
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9HHW
Crystal structure of TTBK1 with a covalent compound GCL95;
X-ray diffraction 3.00Å
Protein #1
309 residues (95% resolved)
Raw Sequence ...
MNMSGGGEQADILPANYVVKDRWKVLKKIGGGGFGEIYEAMDLLTRENVALKVESAQQPKQVLKMEVAVLKKLQGKDHVCRFIGCGRNEKFNYVVMQLQGRNLADLRRSQPRGTFTLSTTLRLGKQILESIEAIHSVGFLHRDIKPSNFAMGRLPSTYRKCYMLDFGLARQYTNTTGDVRPPRNVAGFRGTVRYASVNAHKNREMGRHDDLWSLFYMLVEFAVGQLPWRKIKDKEQVGMIKEKYEHRMLLKHMPSEFHLFLDHIASLDYFTKPDYQLIMSVFENSMKERGIAENEAFDWEKAGTDALLS
Canonical Sequence ...
MNMSGGGEQADILPANYVVKDRWKVLKKIGGGGFGEIYEAMDLLTRENVALKVESAQQPKQVLKMEVAVLKKLQGKDHVCRFIGCGRNEKFNYVVMQLQGRNLADLRRSQPRGTFTLSTTLRLGKQILESIEAIHSVGFLHRDIKPSNFAMGRLPSTYRKCYMLDFGLARQYTNTTGDVRPPRNVAGFRGTVRYASVNAHKNREMGRHDDLWSLFYMLVEFAVGQLPWRKIKDKEQVGMIKEKYEHRMLLKHMPSEFHLFLDHIASLDYFTKPDYQLIMSVFENSMKERGIAENEAFDWEKAGTDALLS
Non polymer #2
A1IU7
InChI=1S/C16H15N3O/c1-2-15(20)19-14-6-4-3-5-13(14)12-9-11-7-8-17-16(11)18-10-12/h3-10H,2H2,1H3,(H,17,18)(H,19,20)
InChI=1S/C16H15N3O/c1-2-15(20)19-14-6-4-3-5-13(14)12-9-11-7-8-17-16(11)18-10-12/h3-10H,2H2,1H3,(H,17,18)(H,19,20)
SMILES: CCC(=O)Nc1ccccc1c2cc3cc[nH]c3nc2
CCC(=O)Nc1ccccc1c2cc3cc[nH]c3nc2
Biounit #1
monomer
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Model
Reference
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