Structure of PDB 6yyf Chain A Binding Site BS01

Receptor Information
>6yyf Chain A (length=156) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAVILESIFLKRSQQNFKKCLFLLTVHKLSYYEYDFERGRRGSKKGSIDV
EKITCVETVVPEKNPPPERQIPRRGMEQISIIERFPYPFQVVYDEGPLYV
FSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAM
GCQILE
Ligand information
Ligand ID3IS
InChIInChI=1S/C8H6ClNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
InChIKeyWWJLCYHYLZZXBE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Clc1ccc2NC(=O)Cc2c1
OpenEye OEToolkits 2.0.7c1cc2c(cc1Cl)CC(=O)N2
FormulaC8 H6 Cl N O
Name5-chloranyl-1,3-dihydroindol-2-one
ChEMBLCHEMBL2381491
DrugBank
ZINCZINC000000161358
PDB chain6yyf 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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PDB6yyf Optimising crystallographic systems for structure-guided drug discovery
Resolution1.93 Å
Binding residue
(original residue number in PDB)		K12 Y39 I56 L111
Binding residue
(residue number reindexed from 1)		K11 Y31 I48 L98
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:6yyf, PDBe:6yyf, PDBj:6yyf
PDBsum6yyf
PubMed
UniProtQ06187|BTK_HUMAN Tyrosine-protein kinase BTK (Gene Name=BTK)

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