Brand  (β version)

PDB ID: 3KCF

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
JZO 4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-1,2-dihydro-3h-pyrazol-3-one PoSSuM
PO4 Phosphate ion PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 3KCF   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Crystal structure of TGFbRI complexed with a pyrazolone inhibitor
Release Data : 2009-12-22
Compound :
mol_id molecule chains synonym
1 TGF-beta receptor type-1 A,B,C,D,E Transforming growth factor-beta receptor type I, TGF-beta receptor type I, TGF-beta type I receptor, TbetaR-I, TGFR-1, Serine/threonine-protein kinase receptor R4, SKR4, Activin receptor-like kinase 5, ALK-5
ec: 2.7.11.30
fragment: UNP residues 162-503, GS AND KINASE DOMAINS
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: TGFBR1, TGFBRI
expression_system_vector_type: baculovirus
Authors : Boriack-Sjodin, P.A.
Keywords : KINASE, TGFBETARI, STRUCTURE-BASED DRUG DESIGN, PROTEIN-INHIBITOR COMPLEX, Aortic aneurysm, ATP-binding, Craniosynostosis, Disease mutation, Disulfide bond, Glycoprotein, Magnesium, Manganese, Membrane, Metal-binding, Nucleotide-binding, Phosphoprotein, Polymorphism, Receptor, Serine/threonine-protein kinase, Transferase, Transmembrane
Exp. method : X-RAY DIFFRACTION ( 2.80 Å )
Citation :

Pyrazolone based TGFbetaR1 kinase inhibitors.

Guckian, K.,Carter, M.B.,Lin, E.Y.  et al.
(2010)  Bioorg.Med.Chem.Lett.  20 : 326 - 329

PubMed: 19914068
DOI: 10.1016/j.bmcl.2009.10.108

Reaction

Chain : A, B, C, D, E
UniProt : P36897 (TGFR1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-threonyl-[receptor-protein] = ADP + H(+) + O-phospho- L-threonyl-[receptor-protein] 2.7.11.30 -
-
ATP + L-seryl-[receptor-protein] = ADP + H(+) + O-phospho-L- seryl-[receptor-protein] 2.7.11.30 -
-