Structure of PDB 4bb4 Chain A Binding Site BS02

Receptor Information

>4bb4 Chain A (length=265) Species: 9606 (Homo sapiens)

FAKEIDVSYVKIEEVIGAGEFGEVCRGRLKAPGKKESCVAIKTLYTERQR
REFLSEASIMGQFEHPNIIRLEGVVTNSMPVMILTEFMENGALDSFLRLN
DGQFTVIQLVGMLRGIASGMRYLAEMSYVHRDLAARNILVNSNLVCKVSD
FGLSRFGKIPIRWTAPEAIAFRKFTSASDAWSYGIVMWEVMSFGERPYWD
MSNQDVINAIEQDYRLPPPPDCPTSLHQLMLDCWQKDRNARPRFPQVVSA
LDKMIRNPASLKIVA

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: 4bb4 Chain A Residue 1891

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4bb4 Discovery and Optimization of a Novel Series of Potent Mutant B-Raf V600E Selective Kinase Inhibitors.
• Resolution: 1.65 Å
• Binding residue (original residue number in PDB): D740 D758
• Binding residue (residue number reindexed from 1): D132 D150
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D740 A742 R744 N745 D758 K781 P783
• Catalytic site (residue number reindexed from 1): D132 A134 R136 N137 D150 K158 P160
• 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:4bb4, PDBe:4bb4, PDBj:4bb4
• PDBsum: 4bb4
• PubMed: 23398453
• UniProt: P54760|EPHB4_HUMAN Ephrin type-B receptor 4 (Gene Name=EPHB4)