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PDBsum entry 4drq

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protein ligands links
Isomerase PDB id
4drq
Jmol
Contents
Protein chain
128 a.a.
Ligands
0OS
Waters ×209
PDB id:
4drq
Name: Isomerase
Title: Exploration of pipecolate sulfonamides as binders of the fk5 proteins 51 and 52: complex of fkbp51 with 2-(3-((r)-1-((s) dichlorophenylsulfonyl)piperidine-2-carbonyloxy)-3-(3,4-dim phenyl)propyl)phenoxy)acetic acid
Structure: Peptidyl-prolyl cis-trans isomerase fkbp5. Chain: a. Fragment: unp residues 16-140. Synonym: ppiase fkbp5, 51 kda fk506-binding protein, 51 kda fkbp-51, 54 kda progesterone receptor-associated immunophil androgen-regulated protein 6, ff1 antigen, fk506-binding pr fkbp-5, fkbp54, p54, hsp90-binding immunophilin, rotamase. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: aig6, fkbp5, fkbp51. Expressed in: escherichia coli. Expression_system_taxid: 469008.
Resolution:
1.00Å     R-factor:   0.138     R-free:   0.151
Authors: R.Gopalakrishnan,C.Kozany,Y.Wang,B.Hoogeland,A.Bracher,F.Hau S.Schneider
Key ref: R.Gopalakrishnan et al. (2012). Exploration of pipecolate sulfonamides as binders of the FK506-binding proteins 51 and 52. J Med Chem, 55, 4123-4131. PubMed id: 22455398 DOI: 10.1021/jm201747c
Date:
17-Feb-12     Release date:   18-Apr-12    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
Q13451  (FKBP5_HUMAN) -  Peptidyl-prolyl cis-trans isomerase FKBP5
Seq:
Struc:
457 a.a.
128 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 4 residue positions (black crosses)

 Enzyme reactions 
   Enzyme class: E.C.5.2.1.8  - Peptidylprolyl isomerase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Peptidylproline (omega=180) = peptidylproline (omega=0)
Peptidylproline (omega=180)
= peptidylproline (omega=0)
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Biological process     protein folding   1 term 

 

 
    Added reference    
 
 
DOI no: 10.1021/jm201747c J Med Chem 55:4123-4131 (2012)
PubMed id: 22455398  
 
 
Exploration of pipecolate sulfonamides as binders of the FK506-binding proteins 51 and 52.
R.Gopalakrishnan, C.Kozany, Y.Wang, S.Schneider, B.Hoogeland, A.Bracher, F.Hausch.
 
  ABSTRACT  
 
No abstract given.