PDBsum entry 2xpa

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Isomerase PDB id
Protein chain
146 a.a. *
Waters ×108
* Residue conservation analysis
PDB id:
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: peptidyl-prolyl cis-trans isomerase pin1, pin1, pp pin1, rotamase pin1. Engineered: yes. Mutation: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 469008.
1.90Å     R-factor:   0.209     R-free:   0.256
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
25-Aug-10     Release date:   12-Jan-11    
Go to PROCHECK summary

Protein chain
Pfam   ArchSchema ?
Q13526  (PIN1_HUMAN) -  Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
163 a.a.
146 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.  - Peptidylprolyl isomerase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Peptidylproline (omega=180) = peptidylproline (omega=0)
Peptidylproline (omega=180)
Bound ligand (Het Group name = 4G5)
matches with 45.00% similarity
= 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     metabolic process   15 terms 
  Biochemical function     protein binding     7 terms  


    Added reference    
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.
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.  
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