Structure of PDB 3uqg Chain B Binding Site BS01

Receptor Information
>3uqg Chain B (length=257) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKDAWEIPRESLRLEVKLGQEVWMGTWNGTTRVAIKTLKSPEAFLQEAQV
MKKLRHEKLVQLYAVVSEEPIYIVTEYMSKGSLLDFLKGEMGKYLRLPQL
VDMAAQIASGMAYVERMNYVHRDLRAANILVGENLVCKVADFGLARLIPI
KWTAPEAALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMVNREVLDQVE
RGYRMPCPPECPESLHDLMCQCWRKDPEERPTFEYLQAFLEDYFTSTEPQ
YQPGENL
Ligand information
Ligand IDB5A
InChIInChI=1S/C11H16N6/c12-10-9-5-16-17(11(9)15-7-14-10)6-8-1-3-13-4-2-8/h5,7-8,13H,1-4,6H2,(H2,12,14,15)
InChIKeyWIWYTHZSXOQVGK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1c2c(ncnc2n(n1)CC3CCNCC3)N
CACTVS 3.370Nc1ncnc2n(CC3CCNCC3)ncc12
ACDLabs 12.01n1c(c2c(nc1)n(nc2)CC3CCNCC3)N
FormulaC11 H16 N6
Name1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
ChEMBLCHEMBL2030559
DrugBank
ZINCZINC000084669498
PDB chain3uqg Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3uqg Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		V281 A293 Y340 M341 L393
Binding residue
(residue number reindexed from 1)		V22 A34 Y77 M78 L130
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D386 R388 A390 N391 D404
Catalytic site (residue number reindexed from 1) D123 R125 A127 N128 D141
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:3uqg, PDBe:3uqg, PDBj:3uqg
PDBsum3uqg
PubMed22369268
UniProtP00523|SRC_CHICK Proto-oncogene tyrosine-protein kinase Src (Gene Name=SRC)

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