Structure of PDB 6tvn Chain A Binding Site BS01

Receptor Information
>6tvn Chain A (length=160) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGS
KKGSIDVEKITCVETVVPEKNPPPERQIPEMEQISIIERFPYPFQVVYDE
GPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPAFWIDGQYLCCSQT
AKNAMGCQIL
Ligand information
Ligand IDNYQ
InChIInChI=1S/C8H6BrNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
InChIKeyVIMNAEVMZXIKFL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Brc1ccc2NC(=O)Cc2c1
OpenEye OEToolkits 2.0.7c1cc2c(cc1Br)CC(=O)N2
FormulaC8 H6 Br N O
Name5-bromanyl-1,3-dihydroindol-2-one
ChEMBL
DrugBank
ZINCZINC000002565584
PDB chain6tvn Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6tvn Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
Resolution2.31 Å
Binding residue
(original residue number in PDB)		K12 Y39 I56 L111
Binding residue
(residue number reindexed from 1)		K11 Y38 I55 L103
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:6tvn, PDBe:6tvn, PDBj:6tvn
PDBsum6tvn
PubMed
UniProtQ06187|BTK_HUMAN Tyrosine-protein kinase BTK (Gene Name=BTK)

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