Structure of PDB 4rix Chain A Binding Site BS02

Receptor Information

>4rix Chain A (length=269) Species: 9606 (Homo sapiens)

VLARIFKETELRKLKVLGSGVFGTVHKGVWIPEGESIKIPVCIKVIEDKS
GRQSFQAVTDHMLAIGSLDHAHIVRLLGLCPGSSLQLVTQYLPLGSLLDH
VRQHRGALGPRLLLNWGVQIAKGMYYLEEHGMVHRNLAARNVLLKSPSQV
QVADFGVADLLPPPIKWMALESIHFGKYTHQSDVWSYGVTVWELMTFGAE
PYAGLRLAEVPDLLEKGERLAQPQICTIDVYMVMVKCWMIDENIRPTFKE
LANEFTRMARDPPRYLVIK

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 4rix Chain A Residue 1102

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4rix Structural analysis of the EGFR/HER3 heterodimer reveals the molecular basis for activating HER3 mutations.
• Resolution: 3.1 Å
• Binding residue (original residue number in PDB): N820 D833
• Binding residue (residue number reindexed from 1): N141 D154
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): N815 A817 R819 N820 D833
• Catalytic site (residue number reindexed from 1): N136 A138 R140 N141 D154
• Enzyme Commision number: 2.7.10.1: receptor protein-tyrosine kinase.

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006468 protein phosphorylation

External links

• PDB: RCSB:4rix, PDBe:4rix, PDBj:4rix
• PDBsum: 4rix
• PubMed: 25468994
• UniProt: P21860|ERBB3_HUMAN Receptor tyrosine-protein kinase erbB-3 (Gene Name=ERBB3)