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PDBsum entry 3krj

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protein ligands links
Transferase/transferase inhibitor PDB id
3krj
Jmol
Contents
Protein chain
304 a.a. *
Ligands
ACT
KRJ
Waters ×142
* Residue conservation analysis
PDB id:
3krj
Name: Transferase/transferase inhibitor
Title: Cfms tyrosine kinase in complex with 4-cyano-1h-imidazole-2- acid (2-cyclohex-1-enyl-4-piperidin-4-yl-phenyl)-amide
Structure: Macrophage colony-stimulating factor 1 receptor, fibroblast growth factor receptor 1. Chain: a. Fragment: unp residues 538-678, 753-922. Synonym: c-fms, fgfr-1. Engineered: yes. Mutation: yes. Other_details: native kinase insert domain of c-fms replace receptor kinase insert domain
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: csf1r, fms, fgfr1. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108
Resolution:
2.10Å     R-factor:   0.213     R-free:   0.260
Authors: C.Schubert
Key ref: C.R.Illig et al. (2011). Optimization of a potent class of arylamide colony-stimulating factor-1 receptor inhibitors leading to anti-inflammatory clinical candidate 4-cyano-N-[2-(1-cyclohexen-1-yl)-4-[1-[(dimethylamino)acetyl]-4-piperidinyl]phenyl]-1H-imidazole-2-carboxamide (JNJ-28312141). J Med Chem, 54, 7860-7883. PubMed id: 22039836 DOI: 10.1021/jm200900q
Date:
18-Nov-09     Release date:   01-Dec-10    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P07333  (CSF1R_HUMAN) -  Macrophage colony-stimulating factor 1 receptor
Seq:
Struc:
 
Seq:
Struc:
972 a.a.
304 a.a.*
Protein chain
Pfam   ArchSchema ?
P11362  (FGFR1_HUMAN) -  Fibroblast growth factor receptor 1
Seq:
Struc:
 
Seq:
Struc:
822 a.a.
304 a.a.*
Key:    PfamA domain  PfamB domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 153 residue positions (black crosses)

 Enzyme reactions 
   Enzyme class: E.C.2.7.10.1  - Receptor protein-tyrosine kinase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
ATP
+ [protein]-L-tyrosine
= ADP
+ [protein]-L-tyrosine phosphate
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     membrane   1 term 
  Biological process     transmembrane receptor protein tyrosine kinase signaling pathway   2 terms 
  Biochemical function     transferase activity, transferring phosphorus-containing groups     5 terms  

 

 
    reference    
 
 
DOI no: 10.1021/jm200900q J Med Chem 54:7860-7883 (2011)
PubMed id: 22039836  
 
 
Optimization of a potent class of arylamide colony-stimulating factor-1 receptor inhibitors leading to anti-inflammatory clinical candidate 4-cyano-N-[2-(1-cyclohexen-1-yl)-4-[1-[(dimethylamino)acetyl]-4-piperidinyl]phenyl]-1H-imidazole-2-carboxamide (JNJ-28312141).
C.R.Illig, C.L.Manthey, M.J.Wall, S.K.Meegalla, J.Chen, K.J.Wilson, S.K.Ballentine, R.L.Desjarlais, C.Schubert, C.S.Crysler, Y.Chen, C.J.Molloy, M.A.Chaikin, R.R.Donatelli, E.Yurkow, Z.Zhou, M.R.Player, B.E.Tomczuk.
 
  ABSTRACT  
 
No abstract given.