Structure of PDB 2zv9 Chain A Binding Site BS01

Receptor Information
>2zv9 Chain A (length=256) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAWEIPRESIKLVKKLGAGQFGEVWMGYYNNSTKVAVKTLKPGTMSVQAF
LEEANLMKTLQHDKLVRLYAVVTKEEPIYIITEFMAKGSLLDFLKSDEGG
KVLLPKLIDFSAQIAEGMAYIERKNYIHRDLRAANVLVSESLMCKIADFG
LARVIEGAKFPIKWTAPEAINFGCFTIKSNVWSFGILLYEIVTYGKIPYP
GRTNADVMSALSQGYRMPRMENCPDELYDIMKMCWKEKAEERPTFDYLQS
VLDDFY
Ligand information
Ligand IDPP2
InChIInChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)/p+1
InChIKeyPBBRWFOVCUAONR-UHFFFAOYSA-O
SMILES
SoftwareSMILES
ACDLabs 10.04Clc3ccc(c1[nH+]n(c2ncnc(c12)N)C(C)(C)C)cc3
CACTVS 3.341CC(C)(C)n1[nH+]c(c2ccc(Cl)cc2)c3c(N)ncnc13
OpenEye OEToolkits 1.5.0CC(C)(C)n1c2c(c([nH+]1)c3ccc(cc3)Cl)c(ncn2)N
FormulaC15 H17 Cl N5
Name1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
ChEMBL
DrugBankDB03023
ZINC
PDB chain2zv9 Chain A Residue 513 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2zv9 Crystal Structures of the Lyn Protein Tyrosine Kinase Domain in Its Apo- and Inhibitor-bound State
Resolution2.76 Å
Binding residue
(original residue number in PDB)		V261 A273 E290 M294 T319 M322 L374
Binding residue
(residue number reindexed from 1)		V24 A36 E53 M57 T82 M85 L137
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=8.05,IC50=9nM
Enzymatic activity
Catalytic site (original residue number in PDB) D367 R369 A371 N372 D385 F405
Catalytic site (residue number reindexed from 1) D130 R132 A134 N135 D148 F160
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:2zv9, PDBe:2zv9, PDBj:2zv9
PDBsum2zv9
PubMed18984583
UniProtP25911|LYN_MOUSE Tyrosine-protein kinase Lyn (Gene Name=Lyn)

[Back to BioLiP]