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PDBsum entry 2xp7

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Isomerase PDB id
2xp7
Jmol
Contents
Protein chain
145 a.a. *
Ligands
4F8
12P
Waters ×138
* Residue conservation analysis
PDB id:
2xp7
Name: Isomerase
Title: Discovery of cell-active phenyl-imidazole pin1 inhibitors by structure-guided fragment evolution
Structure: Peptidyl-prolyl cis-trans isomerase nima-interact chain: a. Synonym: pin1, peptidyl-prolyl cis-trans isomerase pin1, pp pin1, rotamase pin1. Engineered: yes. Mutation: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 469008.
Resolution:
2.00Å     R-factor:   0.226     R-free:   0.269
Authors: A.Potter,V.Oldfield,C.Nunns,C.Fromont,S.Ray,C.J.Northfield, C.J.Bryant,S.F.Scrace,D.Robinson,N.Matossova,L.Baker,P.Doku A.E.Surgenor,B.E.Davis,C.M.Richardson,J.B.Murray,J.D.Moore
Key ref: A.Potter et al. (2010). Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution. Bioorg Med Chem Lett, 20, 6483-6488. PubMed id: 20932746 DOI: 10.1016/j.bmcl.2010.09.063
Date:
25-Aug-10     Release date:   12-Jan-11    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
Q13526  (PIN1_HUMAN) -  Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Seq:
Struc:
163 a.a.
145 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 1 residue position (black cross)

 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!
  Cellular component     midbody   5 terms 
  Biological process     negative regulation of cell motility   15 terms 
  Biochemical function     protein binding     7 terms  

 

 
    Added reference    
 
 
DOI no: 10.1016/j.bmcl.2010.09.063 Bioorg Med Chem Lett 20:6483-6488 (2010)
PubMed id: 20932746  
 
 
Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution.
A.Potter, V.Oldfield, C.Nunns, C.Fromont, S.Ray, C.J.Northfield, C.J.Bryant, S.F.Scrace, D.Robinson, N.Matossova, L.Baker, P.Dokurno, A.E.Surgenor, B.Davis, C.M.Richardson, J.B.Murray, J.D.Moore.
 
  ABSTRACT  
 
No abstract given.

 

Literature references that cite this PDB file's key reference

  PubMed id Reference
21504850 L.Zhu, J.Jin, C.Liu, C.Zhang, Y.Sun, Y.Guo, D.Fu, X.Chen, and B.Xu (2011).
Synthesis and biological evaluation of novel quinazoline-derived human Pin1 inhibitors.
  Bioorg Med Chem, 19, 2797-2807.  
The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time.