Structure of PDB 7ah3 Chain A Binding Site BS01

Receptor Information
>7ah3 Chain A (length=265) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KDAWEIPRESLRLEVKLGQGCFGEVWMGTWNGTTRVAIKTLKPGTMSPEA
FLQEAQVMKKLRHEKLVQLYAVVSEEPIYIVTEYMSKGSLLDFLKGEMGK
YLRLPQLVDMAAQIASGMAYVERMNYVHRDLRAANILVGENLVCKVADFG
LARLIEPIKWTAPEAALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMVN
REVLDQVERGYRMPCPPECPESLHDLMCQCWRKDPEERPTFEYLQAFLED
YFTSTEPQYQPGENL
Ligand information
Ligand IDRCK
InChIInChI=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)
InChIKeyVXDFUYOZJBQCMJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Fc1ccccc1CNc2nc(SCN3CCOCC3)nc4n(CCc5ccccc5)ncc24
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCn2c3c(cn2)c(nc(n3)SCN4CCOCC4)NCc5ccccc5F
FormulaC25 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 chain7ah3 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ah3 Insights into the binding of pyrazolopyrimidines to Src kinase
Resolution1.95 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 score1
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
PDBsum7ah3
PubMed
UniProtP00523|SRC_CHICK Proto-oncogene tyrosine-protein kinase Src (Gene Name=SRC)

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