Structure of PDB 2v7a Chain A Binding Site BS02

Receptor Information

>2v7a Chain A (length=270) Species: 9606 (Homo sapiens)

DKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEE
FLKEAAVMKEIKHPNLVQLLGVCTREPPFYIIIEFMTYGNLLDYLRECNR
QEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADF
GLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEI
ATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSD
RPSFAEIHQAFETMFQESSI

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: 2v7a Chain A Residue 1505

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2v7a Crystal Structure of the T315I Abl Mutant in Complex with the Aurora Kinases Inhibitor Pha-739358.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): N368 D381
• Binding residue (residue number reindexed from 1): N136 D149
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D363 A365 R367 N368 D381 P402
• Catalytic site (residue number reindexed from 1): D131 A133 R135 N136 D149 P170
• Enzyme Commision number: 2.7.10.2: non-specific 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:2v7a, PDBe:2v7a, PDBj:2v7a
• PDBsum: 2v7a
• PubMed: 17804707
• UniProt: P00519|ABL1_HUMAN Tyrosine-protein kinase ABL1 (Gene Name=ABL1)