Structure of PDB 7zho Chain A Binding Site BS01

Receptor Information
>7zho Chain A (length=297) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADILPANYVVKDRWKVLKKIGGGGFGEIYEAMDLLTRENVALKVESAQQP
KQVLKMEVAVLKKLQGKDHVCRFIGCGRNEKFNYVVMQLQGRNLADLRRS
QPRGTFTLSTTLRLGKQILESIEAIHSVGFLHRDIKPSNFAMGRLPSTYR
KCYMLDFGLARQYTNTTGDVRPPRNVAGFRGTVRYASVNAHKNREMGRHD
DLWSLFYMLVEFAVGQLPWRKIKDKEQVGMIKEKYEHRMLLKHMPSEFHL
FLDHIASLDYFTKPDYQLIMSVFENSMKERGIAENEAFDWEKAGTDA
Ligand information
Ligand IDIQR
InChIInChI=1S/C17H16N4O/c1-17(2,22)7-5-11-3-4-14-12(9-11)13(10-20-14)15-6-8-19-16(18)21-15/h3-4,6,8-10,20,22H,1-2H3,(H2,18,19,21)
InChIKeyYYAZUVAPGBAUDQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(C)(O)C#Cc1ccc2[nH]cc(c3ccnc(N)n3)c2c1
OpenEye OEToolkits 2.0.7CC(C)(C#Cc1ccc2c(c1)c(c[nH]2)c3ccnc(n3)N)O
FormulaC17 H16 N4 O
Name4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-ol
ChEMBLCHEMBL5181163
DrugBank
ZINC
PDB chain7zho Chain A Residue 406 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7zho Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis.
Resolution2.08 Å
Binding residue
(original residue number in PDB)		I48 A61 K63 E77 M107 Q110 L175 D176 F177
Binding residue
(residue number reindexed from 1)		I28 A41 K43 E57 M87 Q90 L155 D156 F157
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7zho, PDBe:7zho, PDBj:7zho
PDBsum7zho
PubMed37059819
UniProtQ5TCY1|TTBK1_HUMAN Tau-tubulin kinase 1 (Gene Name=TTBK1)

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