Structure of PDB 8hv4 Chain A Binding Site BS01

Receptor Information
>8hv4 Chain A (length=304) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEAPNQALLRILKETEFKKIKVLGSGTVYKGLWIPEGEKVKIPVAIKELR
EATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGSL
LDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTP
QHVKITDFGRAKLLGAEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYG
VTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCW
MIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLEDMDDVVDADEY
LIPQ
Ligand information
Ligand IDMWU
InChIInChI=1S/C8H8N2O/c1-2-8(11)10-7-5-3-4-6-9-7/h2-6H,1H2,(H,9,10,11)
InChIKeyZUKUBTGXSHTDHA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		C=CC(=O)Nc1ccccn1
FormulaC8 H8 N2 O
Name~{N}-pyridin-2-ylprop-2-enamide
ChEMBLCHEMBL2426254
DrugBank
ZINCZINC000034027328
PDB chain8hv4 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

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PDB8hv4 A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		A743 C775 M790 Q791 M793 L844
Binding residue
(residue number reindexed from 1)		A45 C77 M92 Q93 M95 L146
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
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Biological Process
External links
PDB RCSB:8hv4, PDBe:8hv4, PDBj:8hv4
PDBsum8hv4
PubMed38107172
UniProtP00533|EGFR_HUMAN Epidermal growth factor receptor (Gene Name=EGFR)

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