3UBW

Complex of 14-3-3 isoform epsilon, a Mlf1 phosphopeptide and a small fragment hit from a FBDD screen

Summary for 3UBW

• Entry DOI: 10.2210/pdb3ubw/pdb
• Related: 2BR9 3UAL
• Descriptor: 14-3-3 protein epsilon, Myeloid leukemia factor 1, TERTIARY-BUTYL ALCOHOL, ... (5 entities in total)
• Functional Keywords: adapter protein, signaling protein, signaling protein-protein binding complex, signaling protein/protein binding
• Biological source: Homo sapiens (human); More
• Cellular location: Cytoplasm (By similarity): P62258; Cytoplasm: P58340
• Total number of polymer chains: 2
• Total formula weight: 32257.62

Authors

Molzan, M.,Weyand, M.,Rose, R.,Ottmann, C. (deposition date: 2011-10-25, release date: 2012-01-25, Last modification date: 2024-11-06)

Primary citation

Molzan, M.,Weyand, M.,Rose, R.,Ottmann, C.
Structural insights of the MLF1/14-3-3 interaction.
Febs J., 279:563-571, 2012

PubMed Abstract: Myeloid leukaemia factor 1 (MLF1) binds to 14-3-3 adapter proteins by a sequence surrounding Ser34 with the functional consequences of this interaction largely unknown. We present here the high-resolution crystal structure of this binding motif [MLF1(29-42)pSer34] in complex with 14-3-3ε and analyse the interaction with isothermal titration calorimetry. Fragment-based ligand discovery employing crystals of the binary 14-3-3ε/MLF1(29-42)pSer34 complex was used to identify a molecule that binds to the interface rim of the two proteins, potentially representing the starting point for the development of a small molecule that stabilizes the MLF1/14-3-3 protein-protein interaction. Such a compound might be used as a chemical biology tool to further analyse the 14-3-3/MLF1 interaction without the use of genetic methods. Database Structural data are available in the Protein Data Bank under the accession number(s) 3UAL [14-3-3ε/MLF1(29-42)pSer34 complex] and 3UBW [14-3-3ε/MLF1(29-42)pSer34/3-pyrrolidinol complex] Structured digital abstract •  14-3-3 epsilon and MLF1 bind by x-ray crystallography (View interaction) •  14-3-3 epsilon and MLF1 bind by isothermal titration calorimetry (View Interaction: 1, 2).

PubMed: 22151054
DOI: 10.1111/j.1742-4658.2011.08445.x

Experimental method

X-RAY DIFFRACTION (1.9 Å)