Brand  (β version)

PDB ID: 4EBV

Hetero Atom Contents

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain:

Ligands
Code Name Link
0O7 8-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-C][2,1]benzothiazine 4,4-dioxide PoSSuM
IPA Isopropyl alcohol PoSSuM

Structure summary

Code : 4EBV   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor
Release Data : 2012-08-22
Compound :
mol_id molecule chains synonym
1 Focal adhesion kinase 1 A FADK 1, Focal adhesion kinase-related nonkinase, FRNK, Protein phosphatase 1 regulatory subunit 71, PPP1R71, Protein-tyrosine kinase 2, p125FAK, pp125FAK
ec: 2.7.10.2
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: PTK2, FAK, FAK1
Authors : Skene, R.J., Hosfield, D.J.
Keywords : Kinase Domain, Allosteric inhibitor, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.67 Å )
Citation :

Discovery and characterization of novel allosteric FAK inhibitors.

Iwatani, M.,Iwata, H.,Okabe, A.  et al.
(2013)  Eur.J.Med.Chem.  61 : 49 - 60

PubMed: 22819505
DOI: 10.1016/j.ejmech.2012.06.035

Reaction

Chain : A
UniProt : Q05397 (FAK1_HUMAN)
Reaction : Reaction=ATP + L-tyrosyl-[protein] = ADP + H(+) + O-phospho-L-tyrosyl- [protein]; Xref=Rhea:RHEA:10596, Rhea:RHEA-COMP:10136, Rhea:RHEA- COMP:10137, ChEBI:CHEBI:15378, ChEBI:CHEBI:30616, ChEBI:CHEBI:46858, ChEBI:CHEBI:82620, ChEBI:CHEBI:456216; EC=2.7.10.2; Evidence={ECO:0000255|PROSITE-ProRule:PRU10028, ECO:0000269|PubMed:10655584, ECO:0000269|PubMed:11331870, ECO:0000269|PubMed:18339875};