8W3Z | pdb_00008w3z

Crystal structure of a computationally designed metalloprotein containing the metal-chelating, fluorogenic, non-canonical amino acid 3-(8-hydroxyquinolin-3-yl)-L-alanine: magnesium-bound form


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.49 Å
  • R-Value Free: 
    0.188 (Depositor), 0.195 (DCC) 
  • R-Value Work: 
    0.137 (Depositor), 0.147 (DCC) 
  • R-Value Observed: 
    0.139 (Depositor) 

Starting Model: experimental
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wwPDB Validation   3D Report Full Report


This is version 1.0 of the entry. See complete history


Literature

Computational design of a fluorogenic metalloprotein containing the non-canonical amino acid 3-(8-hydroxyquinolin-3-yl)-L-alanine

Kelly, P.I.Henderson, J.N.Mills, J.H.

To be published.

Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Hydroxyquinoline fluorescent protein258Saccharolobus solfataricusMutation(s): 0 
EC: 4.1.1.48
UniProt
Find proteins for Q06121 (Saccharolobus solfataricus (strain ATCC 35092 / DSM 1617 / JCM 11322 / P2))
Explore Q06121 
Go to UniProtKB:  Q06121
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ06121
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.49 Å
  • R-Value Free:  0.188 (Depositor), 0.195 (DCC) 
  • R-Value Work:  0.137 (Depositor), 0.147 (DCC) 
  • R-Value Observed: 0.139 (Depositor) 
Space Group: P 31 2 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 62.752α = 90
b = 62.752β = 90
c = 122.207γ = 120
Software Package:
Software NamePurpose
PHENIXrefinement
Aimlessdata scaling
XDSdata reduction
PHASERphasing

Structure Validation

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Entry History & Funding Information

Deposition Data


Funding OrganizationLocationGrant Number
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)United StatesGM136996-04

Revision History  (Full details and data files)

  • Version 1.0: 2025-02-26
    Type: Initial release