Structure of PDB 6tvn Chain D Binding Site BS01

Receptor Information
>6tvn Chain D (length=148) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAVILESIFLKRSQNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVE
KITCVETVVPEKNPPPERQIEQISIIERFPYPFQVVYDEGPLYVFSPTEE
LRKRWIHQLKNVIRYNSDLVQKYHPAFWIDGQYLCCSQTAKNAMGCQI
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 D Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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 Q15 Y39 I56 L111
Binding residue
(residue number reindexed from 1)		K11 Q14 Y30 I47 L92
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

View graph for
Biological Process
External links
PDB RCSB:6tvn, PDBe:6tvn, PDBj:6tvn
PDBsum6tvn
PubMed
UniProtQ06187|BTK_HUMAN Tyrosine-protein kinase BTK (Gene Name=BTK)

[Back to BioLiP]