Structure of PDB 8bin Chain A Binding Site BS01

Receptor Information
>8bin Chain A (length=264) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTEIHPSCVTRQKVIGGEVYKGMLKEVPVAIKTLKAGYTEKQRVDFLGEA
GIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVL
QLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVL
EDDGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSN
HEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDK
LIRAPDSLKTLADF
Ligand information
Ligand IDQRR
InChIInChI=1S/C18H20ClN5O/c1-21-18-22-11-12-10-14(13-6-2-3-7-15(13)19)17(25)24(16(12)23-18)9-5-4-8-20/h2-3,6-7,10-11H,4-5,8-9,20H2,1H3,(H,21,22,23)
InChIKeyDVQJNPZTPKFTFL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0CNc1ncc2c(n1)N(C(=O)C(=C2)c3ccccc3Cl)CCCCN
CACTVS 3.385CNc1ncc2C=C(C(=O)N(CCCCN)c2n1)c3ccccc3Cl
FormulaC18 H20 Cl N5 O
Name8-(4-azanylbutyl)-6-(2-chlorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
ChEMBL
DrugBank
ZINC
PDB chain8bin Chain A Residue 1005 [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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PDB8bin Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with MR21
Resolution1.5 Å
Binding residue
(original residue number in PDB)		V627 A644 I645 K646 E663 T692 Y694 M695 L746
Binding residue
(residue number reindexed from 1)		V19 A30 I31 K32 E49 T78 Y80 M81 L132
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:8bin, PDBe:8bin, PDBj:8bin
PDBsum8bin
PubMed39028937
UniProtP29317|EPHA2_HUMAN Ephrin type-A receptor 2 (Gene Name=EPHA2)

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