Plotting and analyzing gatekeeper mutants for Src and Abl using bosutinib isomer data

We are plotting fluorescence assay spectra collected according to this lab-protocols protocol. Further details of the specific experiment can be found in the fluorescence assay lab notebook on December 15-18, 2015. This notebook is a deeper analysis of data from the 'Spectra-Assay-Analysis' notebook.

This notebook is meant to make a high quality figure showing the shift in bosutinib isomer affinity as a result of the gatekeeper mutant.


In [1]:
from assaytools import grant
from glob import glob
import numpy as np
import matplotlib.pyplot as plt
%matplotlib inline


Couldn't import dot_parser, loading of dot files will not be possible.

In [2]:
file_set = {'Src': glob("../spectra/2015-12-15/*.xml"),
        'SrcGK': glob("../spectra/2015-12-16/*.xml"),
        'AblGK': glob("../spectra/2015-12-17/*.xml"),
        'Abl': glob("../spectra/2015-12-18/*.xml")}

In [3]:
#Define ligands and ligand concentration
ligands = ['Bosutinib','Bosutinib Isomer','Erlotinib','Gefitinib']
ligand_conc = np.array([20.0e-6,9.15e-6,4.18e-6,1.91e-6,0.875e-6,0.4e-6,0.183e-6,0.0837e-6,0.0383e-6,0.0175e-6,0.008e-6,0.0001e-6], np.float64) # ligand concentration, M

In [4]:
ligand_conc


Out[4]:
array([  2.00000000e-05,   9.15000000e-06,   4.18000000e-06,
         1.91000000e-06,   8.75000000e-07,   4.00000000e-07,
         1.83000000e-07,   8.37000000e-08,   3.83000000e-08,
         1.75000000e-08,   8.00000000e-09,   1.00000000e-10])

In [5]:
SrcGK_BSI = grant.xml2df(file_set['SrcGK'][1])

In [6]:
SrcGK_BSI.head()


Out[6]:
fluorescence
Well C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 ... D3 D4 D5 D6 D7 D8 D9 D10 D11 D12
wavelength (nm)
280 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 ... 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277
285 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 ... 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277
290 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 ... 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277
295 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 ... 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277
300 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 ... 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277

5 rows × 24 columns


In [7]:
SrcGK_BSI.head()


Out[7]:
fluorescence
Well C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 ... D3 D4 D5 D6 D7 D8 D9 D10 D11 D12
wavelength (nm)
280 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 ... 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277
285 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 ... 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277
290 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 ... 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277
295 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 ... 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277
300 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 ... 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277 3289277

5 rows × 24 columns


In [8]:
SrcGK_BSI_480 = SrcGK_BSI.loc[480][:12]

In [9]:
SrcGK_BSI_480.values


Out[9]:
array([ 65202.,  64861.,  55253.,  37296.,  19109.,   9659.,   5966.,
         6148.,   2405.,   2503.,   2019.,   1768.])

In [10]:
plt.semilogx(ligand_conc,SrcGK_BSI_480.values,linewidth=4,color='k')
plt.xlabel('Ligand Concentration (M)')
plt.ylabel('Relative Fluorescence')
plt.tight_layout();
plt.savefig('binding.png',dpi=1000)



In [11]:
Src_BSI = grant.xml2df(file_set['Src'][1])
Src_BSI_480 = Src_BSI.loc[480][:12]

In [12]:
plt.semilogx(ligand_conc,SrcGK_BSI_480.values,linewidth=4,color='k',linestyle='--',label='T341I')
plt.semilogx(ligand_conc,Src_BSI_480.values,linewidth=4,color='k',label='WT')
plt.legend(loc=0)
plt.title('Src',fontsize=30)
plt.xlabel('Ligand Concentration (M)')
plt.ylabel('Relative Fluorescence')
plt.tight_layout();
plt.savefig('Src_GK.eps',type='eps',dpi=1000)



In [13]:
AblGK_BSI = grant.xml2df(file_set['AblGK'][1])
AblGK_BSI_480 = AblGK_BSI.loc[480][:12]
Abl_BSI = grant.xml2df(file_set['Abl'][1])
Abl_BSI_480 = Abl_BSI.loc[480][:12]

In [14]:
plt.semilogx(ligand_conc,AblGK_BSI_480.values,linewidth=4,color='k',linestyle='--',label='T315I')
plt.semilogx(ligand_conc,Abl_BSI_480.values,linewidth=4,color='k',label='WT')
plt.legend(loc=2)
plt.title('Abl',fontsize=30)
plt.xlabel('Ligand Concentration (M)')
plt.ylabel('Relative Fluorescence')
plt.tight_layout();
plt.savefig('Abl_GK.eps',type='eps',dpi=1000)



In [15]:
plt.semilogx(ligand_conc,Abl_BSI_480.values,linewidth=4,color='k')
plt.xlabel('Ligand Concentration (M)')
plt.ylabel('Relative Fluorescence')
plt.tight_layout();
plt.savefig('binding.png',dpi=1000)



In [16]:
# Below are new figures

In [17]:
plt.semilogx(ligand_conc,SrcGK_BSI_480.values,linewidth=4,color='k',linestyle='--',label='T341I (gatekeeper)')
plt.semilogx(ligand_conc,Src_BSI_480.values,linewidth=4,color='k',label='WT')
plt.legend(loc=0)
plt.title('Src',fontsize=30)
plt.xlabel('[bosutinib isomer] (M)')
plt.ylabel('relative fluorescence')
plt.yticks([])
plt.tight_layout();
plt.savefig('Src_GK_grant.eps',type='eps',dpi=1000)



In [18]:
plt.semilogx(ligand_conc,AblGK_BSI_480.values,linewidth=4,color='k',linestyle='--',label='T315I (gatekeeper)')
plt.semilogx(ligand_conc,Abl_BSI_480.values,linewidth=4,color='k',label='WT')
plt.legend(loc=2)
plt.title('Abl',fontsize=30)
plt.xlabel('[bosutinib isomer] (M)')
plt.ylabel('relative fluorescence')
plt.yticks([])
plt.tight_layout();
plt.savefig('Abl_GK_grant.eps',type='eps',dpi=1000)



In [19]:
# below are new normalized figures

In [20]:
plt.semilogx(ligand_conc,SrcGK_BSI_480.values/SrcGK_BSI_480.values.max(),linewidth=4,color='k',linestyle='--',label='T341I (gatekeeper)')
plt.semilogx(ligand_conc,Src_BSI_480.values/Src_BSI_480.values.max(),linewidth=4,color='k',label='WT')
plt.legend(loc=0,fontsize=16)
plt.title('Src',fontsize=30)
plt.xlabel('[bosutinib isomer] (M)',fontsize=18)
plt.ylabel('relative fluorescence',fontsize=18)
plt.xticks(fontsize=15)
plt.yticks([])
plt.tight_layout();
plt.savefig('Src_GK_grant.eps',type='eps',dpi=1000)



In [21]:
plt.semilogx(ligand_conc,AblGK_BSI_480.values/AblGK_BSI_480.values.max(),linewidth=4,color='k',linestyle='--',label='T315I (gatekeeper)')
plt.semilogx(ligand_conc,Abl_BSI_480.values/Abl_BSI_480.values.max(),linewidth=4,color='k',label='WT')
plt.legend(loc=2,fontsize=16)
plt.title('Abl',fontsize=30)
plt.xlabel('[bosutinib isomer] (M)',fontsize=18)
plt.ylabel('relative fluorescence',fontsize=18)
plt.xticks(fontsize=15)
plt.yticks([])
plt.tight_layout();
plt.savefig('Abl_GK_grant.eps',type='eps',dpi=1000)



In [22]:
#This works for a full set of proteins
grant.plot_spectra2singlet(file_set,ligands,480,'Spectra_assay_singlets.png')


['../spectra/2015-12-17/AblD382N-T334I_Bos_20151217_bw2020_gain120_120553.xml', '../spectra/2015-12-17/AblD382N-T334I_BosI_20151217_bw2020_gain120123031.xml', '../spectra/2015-12-17/AblD382N-T334I_Erl_20151217_bw2020_gain120_125515.xml', '../spectra/2015-12-17/AblD382N-T334I_Gef_20151217_bw2020_gain120_132641.xml']
['../spectra/2015-12-15/Src_Bos_20151215_bw2020_gain120_161211.xml', '../spectra/2015-12-15/Src_BosI_20151215_bw2020_gain120_163633.xml', '../spectra/2015-12-15/Src_Erl_20151215_bw2020_gain120_170056.xml', '../spectra/2015-12-15/Src_Gef_20151215_bw2020_gain120_172518.xml']
['../spectra/2015-12-18/AblD382N_Bos_20151218_bw2020_gain120_ 14-41-14_plate_1.xml', '../spectra/2015-12-18/AblD382N_BosI_20151218_bw2020_gain12014-55-55_plate_1.xml', '../spectra/2015-12-18/AblD382N_Erl_20151218_bw2020_gain120 15-11-11_plate_1.xml', '../spectra/2015-12-18/AblD382N_Gef_20151218_bw2020_gain120 15-25-58_plate_1.xml']
['../spectra/2015-12-16/SrcT338I_Bos_20151216_bw2020_gain120_152505.xml', '../spectra/2015-12-16/SrcT338I_BosI_20151216_bw2020_gain120_154934.xml', '../spectra/2015-12-16/SrcT338I_Erl_20151216_bw2020_gain120_161404.xml', '../spectra/2015-12-16/SrcT338I_Gef_bw2020_gain120_20151216_164154.xml']

In [ ]: