Structure of PDB 5l6o Chain A Binding Site BS01

Receptor Information
>5l6o Chain A (length=267) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CVKIEEVIGAGEVCRGRLKQPGRREVFVAIKTLKVGYTERQRRDFLSEAS
IMGQFDHPNIIRLEGVVTKSRPVMILTEFMENCALDSFLRLNDGQFTVIQ
LVGMLRGIAAGMKYLSEMNYVHRDLAARNILVNSNLVCKVSDFGLEDDPS
DPTYTSSLGGKIPIRWTAPEAIAYRKFTSASDVWSYGIVMWEVMSYGERP
YWDMSNQDVINAVEQDYRLPPPMDCPTALHQLMLDCWVRDRNLRPKFSQI
VNTLDKLIRNPASLKVI
Ligand information
Ligand ID6P6
InChIInChI=1S/C16H13N3O/c1-11(20)12-7-8-14-15(9-12)17-10-18-16(14)19-13-5-3-2-4-6-13/h2-10H,1H3,(H,17,18,19)
InChIKeyPJPNKKKIJHLRQY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.5CC(=O)c1ccc2c(c1)ncnc2Nc3ccccc3
CACTVS 3.385CC(=O)c1ccc2c(Nc3ccccc3)ncnc2c1
FormulaC16 H13 N3 O
Name1-(4-phenylazanylquinazolin-7-yl)ethanone
ChEMBL
DrugBank
ZINCZINC000584904806
PDB chain5l6o Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5l6o Development of Specific, Irreversible Inhibitors for a Receptor Tyrosine Kinase EphB3.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		A663 M686 I709 T711 F713 M714 C717 L765
Binding residue
(residue number reindexed from 1)		A29 M52 I75 T77 F79 M80 C83 L131
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=8.22,IC50=6nM
Enzymatic activity
Catalytic site (original residue number in PDB) D758 A760 R762 N763 D776 K799
Catalytic site (residue number reindexed from 1) D124 A126 R128 N129 D142 K161
Enzyme Commision number 2.7.10.1: receptor 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:5l6o, PDBe:5l6o, PDBj:5l6o
PDBsum5l6o
PubMed27478969
UniProtP54753|EPHB3_HUMAN Ephrin type-B receptor 3 (Gene Name=EPHB3)

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