Structure of PDB 3svv Chain B Binding Site BS01

Receptor Information
>3svv 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]
AKDAWEIPRESLRLEVKLGQGEVWMGTWNGTTRVAIKTLKPTMSPEAFLQ
EAQVMKKLRHEKLVQLYAVVSEEPIYIVCEYMSKGSLLDFLKGEMGKYLR
LPQLVDMAAQIASGMAYVERMNYVHRDLRAANILVGENLVCKVADFGLPI
KWTAPEAALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMVNREVLDQVE
RGYRMPCPPECPESLHDLMCQCWRKDPEERPTFEYLQAFLEDYFTSTEPQ
YQPGENL
Ligand information
Ligand IDVSP
InChIInChI=1S/C17H22N6O2S/c1-4-26(24,25)22-13-7-5-6-12(8-13)9-14-15-16(18)19-10-20-17(15)23(21-14)11(2)3/h5-8,10-11,22H,4,9H2,1-3H3,(H2,18,19,20)
InChIKeyCZDNNNYBOADUFI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=S(=O)(Nc1cccc(c1)Cc3nn(c2ncnc(c23)N)C(C)C)CC
OpenEye OEToolkits 1.7.2CCS(=O)(=O)Nc1cccc(c1)Cc2c3c(ncnc3n(n2)C(C)C)N
CACTVS 3.370CC[S](=O)(=O)Nc1cccc(Cc2nn(C(C)C)c3ncnc(N)c23)c1
FormulaC17 H22 N6 O2 S
NameN-(3-{[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]methyl}phenyl)ethanesulfonamide
ChEMBLCHEMBL3907668
DrugBank
ZINCZINC000095921263
PDB chain3svv Chain B Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3svv Chemical genetic strategy for targeting protein kinases based on covalent complementarity.
Resolution2.204 Å
Binding residue
(original residue number in PDB)		A293 K295 V323 C338 Y340 M341 L393 D404
Binding residue
(residue number reindexed from 1)		A35 K37 V64 C79 Y81 M82 L134 D145
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D386 R388 A390 N391 D404
Catalytic site (residue number reindexed from 1) D127 R129 A131 N132 D145
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3svv, PDBe:3svv, PDBj:3svv
PDBsum3svv
PubMed21852571
UniProtP00523|SRC_CHICK Proto-oncogene tyrosine-protein kinase Src (Gene Name=SRC)

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