Structure of PDB 6tfw Chain B Binding Site BS02

Receptor Information

>6tfw Chain B (length=264) Species: 9606 (Homo sapiens)

NQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELRE
ATANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYV
REHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVK
ITDFGVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPA
SEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSK
MARDPQRYLVIQGD

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: 6tfw Chain B Residue 1106

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6tfw Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): N842 D855
• Binding residue (residue number reindexed from 1): N140 D153
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D837 R841 N842 D855
• Catalytic site (residue number reindexed from 1): D135 R139 N140 D153
• 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

External links

• PDB: RCSB:6tfw, PDBe:6tfw, PDBj:6tfw
• PDBsum: 6tfw
• PubMed: 32931277
• UniProt: P00533|EGFR_HUMAN Epidermal growth factor receptor (Gene Name=EGFR)