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PDBsum entry 3hc5

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protein ligands Protein-protein interface(s) links
Transcription PDB id
3hc5
Jmol
Contents
Protein chains
229 a.a. *
11 a.a. *
Ligands
82X
SO4 ×2
Waters ×38
* Residue conservation analysis
PDB id:
3hc5
Name: Transcription
Title: Fxr with src1 and gsk826
Structure: Bile acid receptor. Chain: a. Fragment: fxr. Synonym: farnesoid x-activated receptor, farnesol receptor hrr-1, nuclear receptor subfamily 1 group h member 4, retinoid x receptor-interacting protein 14, rxr-interacting protein 14. Engineered: yes. Nuclear receptor coactivator 1.
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: bar, fxr, hrr1, nr1h4, rip14. Expressed in: escherichia coli. Expression_system_taxid: 562. Synthetic: yes
Resolution:
2.60Å     R-factor:   0.220     R-free:   0.269
Authors: S.P.Williams,K.P.Madauss
Key ref: A.Akwabi-Ameyaw et al. (2009). FXR agonist activity of conformationally constrained analogs of GW 4064. Bioorg Med Chem Lett, 19, 4733-4739. PubMed id: 19586769 DOI: 10.1016/j.bmcl.2009.06.062
Date:
05-May-09     Release date:   21-Jul-09    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
Q96RI1  (NR1H4_HUMAN) -  Bile acid receptor
Seq:
Struc:
486 a.a.
229 a.a.
Protein chain
Pfam   ArchSchema ?
Q15788  (NCOA1_HUMAN) -  Nuclear receptor coactivator 1
Seq:
Struc:
 
Seq:
Struc:
 
Seq:
Struc:
1441 a.a.
11 a.a.
Key:    PfamA domain  PfamB domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: Chain B: E.C.2.3.1.48  - Histone acetyltransferase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Acetyl-CoA + [histone] = CoA + acetyl-[histone]
Acetyl-CoA
+ [histone]
= CoA
+ acetyl-[histone]
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     nucleus   1 term 
  Biological process     steroid hormone mediated signaling pathway   2 terms 
  Biochemical function     DNA binding     3 terms  

 

 
    Added reference    
 
 
DOI no: 10.1016/j.bmcl.2009.06.062 Bioorg Med Chem Lett 19:4733-4739 (2009)
PubMed id: 19586769  
 
 
FXR agonist activity of conformationally constrained analogs of GW 4064.
A.Akwabi-Ameyaw, J.Y.Bass, R.D.Caldwell, J.A.Caravella, L.Chen, K.L.Creech, D.N.Deaton, K.P.Madauss, H.B.Marr, R.B.McFadyen, A.B.Miller, F.Navas, D.J.Parks, P.K.Spearing, D.Todd, S.P.Williams, G.Bruce Wisely.
 
  ABSTRACT  
 
Two series of conformationally constrained analogs of the FXR agonist GW 4064 1 were prepared. Replacement of the metabolically labile stilbene with either benzothiophene or naphthalene rings led to the identification of potent full agonists 2a and 2g.