Structure of PDB 2xvd Chain A Binding Site BS02

Receptor Information

>2xvd Chain A (length=270) Species: 9606 (Homo sapiens)

AKEIDVSYVKIEEVIGAGEFGEVCRGRLKAPGKKESCVAIKTLYTERQRR
EFLSEASIMGQFEHPNIIRLEGVVTNSMPVMILTEFMENGALDSFLRLND
GQFTVIQLVGMLRGIASGMRYLAEMSYVHRDLAARNILVNSNLVCKVSDF
GLSRFLESSLGGKIPIRWTAPEAIAFRKFTSASDAWSYGIVMWEVMSFGE
RPYWDMSNQDVINAIEQDYRLPPPPDCPTSLHQLMLDCWQKDRNARPRFP
QVVSALDKMIRNPASLKIVA

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: 2xvd Chain A Residue 1890

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2xvd Inhibitors of the Tyrosine Kinase Ephb4. Part 4: Discovery and Optimization of a Benzylic Alcohol Series.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): D740 D758
• Binding residue (residue number reindexed from 1): D131 D149
• 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): D131 A133 R135 N136 D149 K163 P165
• 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:2xvd, PDBe:2xvd, PDBj:2xvd
• PDBsum: 2xvd
• PubMed: 21441027
• UniProt: P54760|EPHB4_HUMAN Ephrin type-B receptor 4 (Gene Name=EPHB4)