Structure of PDB 3rcd Chain A

Receptor sequence
>3rcdA (length=281) Species: 9606 (Homo sapiens) [Search protein sequence]
ALLRILKETELRKVKVLGSGAFGTVYKGIWIPDGENVKIPVAIKVLRPKA
NKEILDEAYVMAGVGSPYVSRLLGICLTSTVQLVTQLMPYGCLLDHVREN
RGRLGSQDLLNWCMQIAKGMSYLEDVRLVHRDLAARNVLVKSPNHVKITD
FGLVPIKWMALESILRRRFTHQSDVWSYGVTVWELMTFGAKPYDGIPARE
IPDLLEKGERLPQPPICTIDVYMIMVKCWMIDSECRPRFRELVSEFSRMA
RDPQRFVVIQNLDSTFYRSLLEDDDLVDAEE
3D structure
PDB3rcd Design and Synthesis of Novel Human Epidermal Growth Factor Receptor 2 (HER2)/Epidermal Growth Factor Receptor (EGFR) Dual Inhibitors Bearing a Pyrrolo[3,2-d]pyrimidine Scaffold.
ChainA
Resolution3.21 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D845 A847 R849 N850 D863
Catalytic site (residue number reindexed from 1) D132 A134 R136 N137 D150
Enzyme Commision number 2.7.10.1: receptor protein-tyrosine kinase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 03P A G727 V734 A751 K753 S783 L785 T798 L800 M801 G804 L852 T862 D863 G18 V25 A42 K44 S70 L72 T85 L87 M88 G91 L139 T149 D150 PDBbind-CN: -logKd/Ki=7.77,IC50=17nM
BindingDB: IC50=17nM
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:3rcd, PDBe:3rcd, PDBj:3rcd
PDBsum3rcd
PubMed22003817
UniProtP04626|ERBB2_HUMAN Receptor tyrosine-protein kinase erbB-2 (Gene Name=ERBB2)

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