Structure of PDB 6tse Chain A Binding Site BS03

Receptor Information
>6tse Chain A (length=164) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAVILESIFLKRSQQKKKTSPLNFKKCLFLLTVHKLSYYEYDFERGRRGS
KKGSIDVEKITCVETVVPEKNPPPERQIPRRGEMEQISIIERFPYPFQVV
YDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCC
SQTAKNAMGCQILE
Ligand information
Ligand ID72V
InChIInChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3
InChIKeyVCYBVWFTGAZHGH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN1C(=O)C(=O)c2ccccc12
OpenEye OEToolkits 2.0.5CN1c2ccccc2C(=O)C1=O
FormulaC9 H7 N O2
Name1-methylindole-2,3-dione
ChEMBLCHEMBL60569
DrugBank
ZINCZINC000001675288
PDB chain6tse Chain A Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6tse Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
Resolution1.41 Å
Binding residue
(original residue number in PDB)		K12 S14 K26 Y39
Binding residue
(residue number reindexed from 1)		K11 S13 K25 Y38
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.10.2: non-specific protein-tyrosine kinase.
Gene Ontology
Biological Process
GO:0035556 intracellular signal transduction

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Biological Process
External links
PDB RCSB:6tse, PDBe:6tse, PDBj:6tse
PDBsum6tse
PubMed
UniProtQ06187|BTK_HUMAN Tyrosine-protein kinase BTK (Gene Name=BTK)

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