Structure of PDB 7ah3 Chain A Binding Site BS01
Receptor Information
>7ah3 Chain A (length=265) Species:
9031
(Gallus gallus) [
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KDAWEIPRESLRLEVKLGQGCFGEVWMGTWNGTTRVAIKTLKPGTMSPEA
FLQEAQVMKKLRHEKLVQLYAVVSEEPIYIVTEYMSKGSLLDFLKGEMGK
YLRLPQLVDMAAQIASGMAYVERMNYVHRDLRAANILVGENLVCKVADFG
LARLIEPIKWTAPEAALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMVN
REVLDQVERGYRMPCPPECPESLHDLMCQCWRKDPEERPTFEYLQAFLED
YFTSTEPQYQPGENL
Ligand information
Ligand ID
RCK
InChI
InChI=1S/C25H27FN6OS/c26-22-9-5-4-8-20(22)16-27-23-21-17-28-32(11-10-19-6-2-1-3-7-19)24(21)30-25(29-23)34-18-31-12-14-33-15-13-31/h1-9,17H,10-16,18H2,(H,27,29,30)
InChIKey
VXDFUYOZJBQCMJ-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.385
Fc1ccccc1CNc2nc(SCN3CCOCC3)nc4n(CCc5ccccc5)ncc24
OpenEye OEToolkits 2.0.7
c1ccc(cc1)CCn2c3c(cn2)c(nc(n3)SCN4CCOCC4)NCc5ccccc5F
Formula
C25 H27 F N6 O S
Name
~{N}-[(2-fluorophenyl)methyl]-6-(morpholin-4-ylmethylsulfanyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
ChEMBL
DrugBank
ZINC
PDB chain
7ah3 Chain A Residue 601 [
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Receptor-Ligand Complex Structure
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PDB
7ah3
Insights into the binding of pyrazolopyrimidines to Src kinase
Resolution
1.95 Å
Binding residue
(original residue number in PDB)
A293 V323 I336 T338 M341 G344 L393 D404
Binding residue
(residue number reindexed from 1)
A37 V67 I80 T82 M85 G88 L137 D148
Annotation score
1
Enzymatic activity
Enzyme Commision number
2.7.10.2
: non-specific protein-tyrosine kinase.
Gene Ontology
Molecular Function
GO:0004672
protein kinase activity
GO:0004713
protein tyrosine kinase activity
GO:0005524
ATP binding
Biological Process
GO:0006468
protein phosphorylation
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Molecular Function
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Biological Process
External links
PDB
RCSB:7ah3
,
PDBe:7ah3
,
PDBj:7ah3
PDBsum
7ah3
PubMed
UniProt
P00523
|SRC_CHICK Proto-oncogene tyrosine-protein kinase Src (Gene Name=SRC)
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