Structure of PDB 2vwy Chain A Binding Site BS02

Receptor Information

>2vwy Chain A (length=274) Species: 9606 (Homo sapiens)

KEIDVSYVKIEEVIGAGEFGEVCRGRLKAPGKKESCVAIKTLKGGYTERQ
RREFLSEASIMGQFEHPNIIRLEGVVTNSMPVMILTEFMENGALDSFLRL
NDGQFTVIQLVGMLRGIASGMRYLAEMSYVHRDLAARNILVNSNLVCKVS
DFGLSRFLEENSSDGGKIPIRWTAPEAIAFRKFTSASDAWSYGIVMWEVM
SFGERPYWDMSNQDVINAIEQDYRLPPPPDCPTSLHQLMLDCWQKDRNAR
PRFPQVVSALDKMIRNPASLKIVA

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: 2vwy Chain A Residue 1890

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2vwy Inhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines.
• Resolution: 1.65 Å
• Binding residue (original residue number in PDB): D740 D758
• Binding residue (residue number reindexed from 1): D133 D151
• 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): D133 A135 R137 N138 D151 K167 P169
• 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:2vwy, PDBe:2vwy, PDBj:2vwy
• PDBsum: 2vwy
• PubMed: 18851911
• UniProt: P54760|EPHB4_HUMAN Ephrin type-B receptor 4 (Gene Name=EPHB4)