Structure of PDB 1btk Chain B Binding Site BS01

Receptor Information
>1btk Chain B (length=169) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAVILESIFLKRSQQKKKTSPLNFKKCLFLLTVHKLSYYEYDFERGRRGS
KKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYP
FQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQ
YLCCSQTAKNAMGCQILEN
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1btk Chain B Residue 180 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1btk Structure of the PH domain and Btk motif from Bruton's tyrosine kinase: molecular explanations for X-linked agammaglobulinaemia.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H143 C154 C155 C165
Binding residue
(residue number reindexed from 1)		H142 C153 C154 C164
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:1btk, PDBe:1btk, PDBj:1btk
PDBsum1btk
PubMed9218782
UniProtQ06187|BTK_HUMAN Tyrosine-protein kinase BTK (Gene Name=BTK)

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