3H0T

Hepcidin-Fab complex


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.89 Å
  • R-Value Free: 0.251 
  • R-Value Work: 0.202 
  • R-Value Observed: 0.205 

wwPDB Validation   3D Report Full Report


This is version 1.2 of the entry. See complete history


Literature

Hepcidin revisited, disulfide connectivity, dynamics, and structure.

Jordan, J.B.Poppe, L.Haniu, M.Arvedson, T.Syed, R.Li, V.Kohno, H.Kim, H.Schnier, P.D.Harvey, T.S.Miranda, L.P.Cheetham, J.Sasu, B.J.

(2009) J Biol Chem 284: 24155-24167

  • DOI: https://doi.org/10.1074/jbc.M109.017764
  • Primary Citation of Related Structures:  
    2KEF, 3H0T

  • PubMed Abstract: 

    Hepcidin is a tightly folded 25-residue peptide hormone containing four disulfide bonds, which has been shown to act as the principal regulator of iron homeostasis in vertebrates. We used multiple techniques to demonstrate a disulfide bonding pattern for hepcidin different from that previously published. All techniques confirmed the following disulfide bond connectivity: Cys(1)-Cys(8), Cys(3)-Cys(6), Cys(2)-Cys(4), and Cys(5)-Cys(7). NMR studies reveal a new model for hepcidin that, at ambient temperatures, interconverts between two different conformations, which could be individually resolved by temperature variation. Using these methods, the solution structure of hepcidin was determined at 325 and 253 K in supercooled water. X-ray analysis of a co-crystal with Fab appeared to stabilize a hepcidin conformation similar to the high temperature NMR structure.


  • Organizational Affiliation

    Department of Molecular Structure, Amgen, Inc., Thousand Oaks, California 91320, USA. jbjordan@amgen.com


Macromolecules
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Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Fab fragment, Light chain216Homo sapiensMutation(s): 0 
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Entity ID: 2
MoleculeChains Sequence LengthOrganismDetailsImage
Fab fragment, Heavy chain237Homo sapiensMutation(s): 0 
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Entity ID: 3
MoleculeChains Sequence LengthOrganismDetailsImage
Hepcidin25Homo sapiensMutation(s): 0 
Gene Names: HAMPHEPChepcidinLEAP1
Membrane Entity: Yes 
UniProt & NIH Common Fund Data Resources
Find proteins for P81172 (Homo sapiens)
Explore P81172 
Go to UniProtKB:  P81172
PHAROS:  P81172
GTEx:  ENSG00000105697 
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP81172
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.89 Å
  • R-Value Free: 0.251 
  • R-Value Work: 0.202 
  • R-Value Observed: 0.205 
  • Space Group: C 1 2 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 174.077α = 90
b = 52.169β = 99.24
c = 65.63γ = 90
Software Package:
Software NamePurpose
ADSCdata collection
EPMRphasing
REFMACrefinement
HKL-2000data reduction
HKL-2000data scaling

Structure Validation

View Full Validation Report



Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2009-06-23
    Type: Initial release
  • Version 1.1: 2011-07-13
    Changes: Version format compliance
  • Version 1.2: 2023-09-06
    Changes: Data collection, Database references, Derived calculations, Refinement description