5VZY

Crystal structure of crenezumab Fab in complex with Abeta


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.32 Å
  • R-Value Free: 0.249 
  • R-Value Work: 0.206 
  • R-Value Observed: 0.208 

wwPDB Validation   3D Report Full Report


This is version 1.1 of the entry. See complete history


Literature

Structure of Crenezumab Complex with Abeta Shows Loss of beta-Hairpin.

Ultsch, M.Li, B.Maurer, T.Mathieu, M.Adolfsson, O.Muhs, A.Pfeifer, A.Pihlgren, M.Bainbridge, T.W.Reichelt, M.Ernst, J.A.Eigenbrot, C.Fuh, G.Atwal, J.K.Watts, R.J.Wang, W.

(2016) Sci Rep 6: 39374

  • DOI: https://doi.org/10.1038/srep39374
  • Primary Citation of Related Structures:  
    5VZX, 5VZY

  • PubMed Abstract: 

    Accumulation of amyloid-β (Aβ) peptides and amyloid plaque deposition in brain is postulated as a cause of Alzheimer's disease (AD). The precise pathological species of Aβ remains elusive although evidence suggests soluble oligomers may be primarily responsible for neurotoxicity. Crenezumab is a humanized anti-Aβ monoclonal IgG4 that binds multiple forms of Aβ, with higher affinity for aggregated forms, and that blocks Aβ aggregation, and promotes disaggregation. To understand the structural basis for this binding profile and activity, we determined the crystal structure of crenezumab in complex with Aβ. The structure reveals a sequential epitope and conformational requirements for epitope recognition, which include a subtle but critical element that is likely the basis for crenezumab's versatile binding profile. We find interactions consistent with high affinity for multiple forms of Aβ, particularly oligomers. Of note, crenezumab also sequesters the hydrophobic core of Aβ and breaks an essential salt-bridge characteristic of the β-hairpin conformation, eliminating features characteristic of the basic organization in Aβ oligomers and fibrils, and explains crenezumab's inhibition of aggregation and promotion of disaggregation. These insights highlight crenezumab's unique mechanism of action, particularly regarding Aβ oligomers, and provide a strong rationale for the evaluation of crenezumab as a potential AD therapy.


  • Organizational Affiliation

    Genentech, Inc., 1 DNA Way, South San Francisco, California 94080, USA.


Macromolecules
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Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Crenezumab Fab heavy chain,Immunoglobulin gamma-1 heavy chainA [auth H]220Homo sapiensMutation(s): 0 
UniProt
Find proteins for P0DOX5 (Homo sapiens)
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Go to UniProtKB:  P0DOX5
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UniProt GroupP0DOX5
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  • Reference Sequence
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Entity ID: 2
MoleculeChains Sequence LengthOrganismDetailsImage
Crenezumab Fab light chain,Immunoblobulin light chainB [auth L]219Homo sapiensMutation(s): 0 
UniProt
Find proteins for Q0KKI6 (Homo sapiens)
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Go to UniProtKB:  Q0KKI6
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UniProt GroupQ0KKI6
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Entity ID: 3
MoleculeChains Sequence LengthOrganismDetailsImage
Amyloid beta A4 proteinC [auth A]15Homo sapiensMutation(s): 0 
Gene Names: APPA4AD1
UniProt & NIH Common Fund Data Resources
Find proteins for P05067 (Homo sapiens)
Explore P05067 
Go to UniProtKB:  P05067
PHAROS:  P05067
GTEx:  ENSG00000142192 
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UniProt GroupP05067
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.32 Å
  • R-Value Free: 0.249 
  • R-Value Work: 0.206 
  • R-Value Observed: 0.208 
  • Space Group: P 21 21 21
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 44.3α = 90
b = 67.13β = 90
c = 126.76γ = 90
Software Package:
Software NamePurpose
PHENIXrefinement
iMOSFLMdata reduction
Aimlessdata scaling
PHASERphasing

Structure Validation

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Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2017-08-09
    Type: Initial release
  • Version 1.1: 2017-09-13
    Changes: Database references, Source and taxonomy, Structure summary