2N52

The solution structure of the kallikrein inhibitor SPINK6


Experimental Data Snapshot

  • Method: SOLUTION NMR
  • Conformers Calculated: 200 
  • Conformers Submitted: 20 
  • Selection Criteria: structures with the lowest energy 

wwPDB Validation   3D Report Full Report


This is version 1.1 of the entry. See complete history


Literature

The solution structure of the kallikrein-related peptidases inhibitor SPINK6.

Jung, S.Fischer, J.Spudy, B.Kerkow, T.Sonnichsen, F.D.Xue, L.Bonvin, A.M.Goettig, P.Magdolen, V.Meyer-Hoffert, U.Grotzinger, J.

(2016) Biochem Biophys Res Commun 471: 103-108

  • DOI: https://doi.org/10.1016/j.bbrc.2016.01.172
  • Primary Citation of Related Structures:  
    2N52

  • PubMed Abstract: 

    Kallikrein-related peptidases (KLKs) are crucial for epidermal barrier function and are involved in the proteolytic regulation of the desquamation process. Elevated KLK levels were reported in atopic dermatitis. In skin, the proteolytic activity of KLKs is regulated by specific inhibitors of the serine protease inhibitor of Kazal-type (SPINK) family. SPINK6 was shown to be expressed in human stratum corneum and is able to inhibit several KLKs such as KLK4, -5, -12, -13 and -14. In order to understand the structural traits of the specific inhibition we solved the structure of SPINK6 in solution by NMR-spectroscopy and studied its interaction with KLKs. Thereby, beside the conserved binding mode, we identified an alternate binding mode which has so far not been observed for SPINK inhibitors.


  • Organizational Affiliation

    Institute of Biochemistry, Christian-Albrechts-University, Olshausenstr. 40, 24098 Kiel, Germany.


Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Serine protease inhibitor Kazal-type 660Homo sapiensMutation(s): 1 
Gene Names: SPINK6UNQ844/PRO1782
UniProt & NIH Common Fund Data Resources
Find proteins for Q6UWN8 (Homo sapiens)
Explore Q6UWN8 
Go to UniProtKB:  Q6UWN8
PHAROS:  Q6UWN8
GTEx:  ENSG00000178172 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ6UWN8
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: SOLUTION NMR
  • Conformers Calculated: 200 
  • Conformers Submitted: 20 
  • Selection Criteria: structures with the lowest energy 

Structure Validation

View Full Validation Report



Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2016-03-16
    Type: Initial release
  • Version 1.1: 2023-06-14
    Changes: Database references, Other