Structure of PDB 8hv9 Chain A Binding Site BS01

Receptor Information
>8hv9 Chain A (length=306) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEAPNQALLRILKETEFKKIKVLGSTVYKGLWIPEGEKVKIPVAIKELRE
ATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGSLL
DYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQ
HVKITDFGRAKLLGAAAAEYHAEGGKVPIKWMALESILHRIYTHQSDVWS
YGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVK
CWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPEDMDDVVDA
DEYLIP
Ligand information
Ligand IDN9L
InChIInChI=1S/C14H12N2O/c1-2-14(17)16-13-10-12(8-9-15-13)11-6-4-3-5-7-11/h2-10H,1H2,(H,15,16,17)
InChIKeyUHDREKXLGZSDPE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		C=CC(=O)Nc1cc(ccn1)c2ccccc2
FormulaC14 H12 N2 O
Name~{N}-(4-phenylpyridin-2-yl)prop-2-enamide
ChEMBL
DrugBank
ZINC
PDB chain8hv9 Chain A Residue 1102 [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]
PDB8hv9 A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		V726 A743 C775 M790 Q791 L792 M793 L844
Binding residue
(residue number reindexed from 1)		V27 A44 C76 M91 Q92 L93 M94 L145
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8hv9, PDBe:8hv9, PDBj:8hv9
PDBsum8hv9
PubMed38107172
UniProtP00533|EGFR_HUMAN Epidermal growth factor receptor (Gene Name=EGFR)

[Back to BioLiP]