Structure of PDB 8bk0 Chain A Binding Site BS01

Receptor Information
>8bk0 Chain A (length=266) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTEIHPSCVTRQKVIGAGEFGEVYKGMLKEVPVAIKTLKAGYTEKQRVDF
LGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGE
FSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGL
SRVLEDDIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWEL
SNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSIL
DKLIRAPDSLKTLADF
Ligand information
Ligand IDQJI
InChIInChI=1S/C19H19ClN4O/c20-15-3-1-2-4-16(15)23-19(25)17-11-22-18-6-5-14(12-24(17)18)13-7-9-21-10-8-13/h1-6,11-13,21H,7-10H2,(H,23,25)
InChIKeyDGSMEFWSLXFLQA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc(c(c1)NC(=O)c2cnc3n2cc(cc3)C4CCNCC4)Cl
CACTVS 3.385Clc1ccccc1NC(=O)c2cnc3ccc(cn23)C4CCNCC4
FormulaC19 H19 Cl N4 O
Name~{N}-(2-chlorophenyl)-6-piperidin-4-yl-imidazo[1,2-a]pyridine-3-carboxamide
ChEMBLCHEMBL1198514
DrugBank
ZINCZINC000048998306
PDB chain8bk0 Chain A Residue 1007 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bk0 Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with LDN-211904
Resolution1.7 Å
Binding residue
(original residue number in PDB)		I619 A644 K646 E663 M667 I690 T692 M695 L746 S756
Binding residue
(residue number reindexed from 1)		I15 A34 K36 E53 M57 I80 T82 M85 L136 S146
Annotation score1
Enzymatic activity
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:8bk0, PDBe:8bk0, PDBj:8bk0
PDBsum8bk0
PubMed
UniProtP29317|EPHA2_HUMAN Ephrin type-A receptor 2 (Gene Name=EPHA2)

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