Structure of PDB 6yyf Chain B Binding Site BS01

Receptor Information
>6yyf Chain B (length=152) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAVILESIFLKRSQNFKKCLFLLTVHKLSYYEYDFERGRRGSKKGSIDVE
KITCVETVVPEKNPPPERQIPEQISIIERFPYPFQVVYDEGPLYVFSPTE
ELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQIL
EN
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 B 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 S14 Q15 Y39 L111
Binding residue
(residue number reindexed from 1)		K11 S13 Q14 Y30 L93
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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