Tyrosine-protein kinase ITK/TSK
Intramolecular
Cysteine 133 and cysteine 143
Cysteine 132 and cysteine 133
Cysteine 132 and cysteine 143
Cysteine 425 and cysteine 432
Cysteine 442 and cysteine 488
Cysteine 467 and cysteine 594
Cysteine 463 and cysteine 467
Cysteine 463 and cysteine 594
Cysteine 463 and cysteine 488
2e6i A 28 A 38
A redox-regulated disulphide may form within Tyrosine-protein kinase ITK/TSK between cysteines 133 and 143 (28 and 38 respectively in this structure).
Details
Redox score ?
86
PDB code
2e6i
Structure name
solution structure of the btk motif of tyrosine-protein kinase itk from human
Structure deposition date
2006-12-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
45
Minimum pKa ?
6
% buried
0
Peptide accession
Q08881
Residue number A
133
Residue number B
143
Peptide name
Tyrosine-protein kinase ITK/TSK
Ligandability
Cysteine 133 of Tyrosine-protein kinase ITK/TSK
Cysteine 143 of Tyrosine-protein kinase ITK/TSK
2e6i A 27 A 28
A redox-regulated disulphide may form within Tyrosine-protein kinase ITK/TSK between cysteines 132 and 133 (27 and 28 respectively in this structure).
Details
Redox score ?
85
PDB code
2e6i
Structure name
solution structure of the btk motif of tyrosine-protein kinase itk from human
Structure deposition date
2006-12-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
42
Minimum pKa ?
6
% buried
0
Peptide accession
Q08881
Residue number A
132
Residue number B
133
Peptide name
Tyrosine-protein kinase ITK/TSK
Ligandability
Cysteine 132 of Tyrosine-protein kinase ITK/TSK
Cysteine 133 of Tyrosine-protein kinase ITK/TSK
2e6i A 27 A 38
A redox-regulated disulphide may form within Tyrosine-protein kinase ITK/TSK between cysteines 132 and 143 (27 and 38 respectively in this structure).
Details
Redox score ?
83
PDB code
2e6i
Structure name
solution structure of the btk motif of tyrosine-protein kinase itk from human
Structure deposition date
2006-12-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
43
Minimum pKa ?
8
% buried
0
Peptide accession
Q08881
Residue number A
132
Residue number B
143
Peptide name
Tyrosine-protein kinase ITK/TSK
Ligandability
Cysteine 132 of Tyrosine-protein kinase ITK/TSK
Cysteine 143 of Tyrosine-protein kinase ITK/TSK
3qgy B 425 B 432
A redox-regulated disulphide may form within Tyrosine-protein kinase ITK/TSK between cysteines 425 and 432.
Details
Redox score ?
77
PDB code
3qgy
Structure name
crystal structure of itk inhibitor complex
Structure deposition date
2011-01-25
Thiol separation (Å)
3
Half-sphere exposure sum ?
72
Minimum pKa ?
8
% buried
57
Peptide accession
Q08881
Residue number A
425
Residue number B
432
Peptide name
Tyrosine-protein kinase ITK/TSK
Ligandability
Cysteine 425 of Tyrosine-protein kinase ITK/TSK
Cysteine 432 of Tyrosine-protein kinase ITK/TSK
3qgw B 442 B 488
A redox-regulated disulphide may form within Tyrosine-protein kinase ITK/TSK between cysteines 442 and 488. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
36
PDB code
3qgw
Structure name
crystal structure of itk kinase bound to an inhibitor
Structure deposition date
2011-01-25
Thiol separation (Å)
9
Half-sphere exposure sum ?
75
Minimum pKa ?
11
% buried
85
Peptide accession
Q08881
Residue number A
442
Residue number B
488
Peptide name
Tyrosine-protein kinase ITK/TSK
Ligandability
Cysteine 442 of Tyrosine-protein kinase ITK/TSK
Cysteine 488 of Tyrosine-protein kinase ITK/TSK
1snx A 467 A 594
A redox-regulated disulphide may form within Tyrosine-protein kinase ITK/TSK between cysteines 467 and 594. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
36
PDB code
1snx
Structure name
crystal structure of apo interleukin-2 tyrosine kinase catalytic domain
Structure deposition date
2004-03-12
Thiol separation (Å)
8
Half-sphere exposure sum ?
82
Minimum pKa ?
12
% buried
99
Peptide accession
Q08881
Residue number A
467
Residue number B
594
Peptide name
Tyrosine-protein kinase ITK/TSK
Ligandability
Cysteine 467 of Tyrosine-protein kinase ITK/TSK
Cysteine 594 of Tyrosine-protein kinase ITK/TSK
3v5l B 463 B 467
A redox-regulated disulphide may form within Tyrosine-protein kinase ITK/TSK between cysteines 463 and 467. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
30
PDB code
3v5l
Structure name
crystal structure of interleukin-2 inducible t-cell kinase itk catalytic domain with thienopyrazolylindole inhibitor 542
Structure deposition date
2011-12-16
Thiol separation (Å)
9
Half-sphere exposure sum ?
90
Minimum pKa ?
13
% buried
96
Peptide accession
Q08881
Residue number A
463
Residue number B
467
Peptide name
Tyrosine-protein kinase ITK/TSK
Ligandability
Cysteine 463 of Tyrosine-protein kinase ITK/TSK
Cysteine 467 of Tyrosine-protein kinase ITK/TSK
4ppc A 463 A 594
A redox-regulated disulphide may form within Tyrosine-protein kinase ITK/TSK between cysteines 463 and 594. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
26
PDB code
4ppc
Structure name
itk kinase domain with compound 27 (n-{1-[(1r)-3-(dimethylamino)-1- phenylpropyl]-1h-pyrazol-4-yl}-6-(1h-pyrazol-4-yl)-1h-indazole-3- carboxamide)
Structure deposition date
2014-02-26
Thiol separation (Å)
10
Half-sphere exposure sum ?
82
Minimum pKa ?
13
% buried
100
Peptide accession
Q08881
Residue number A
463
Residue number B
594
Peptide name
Tyrosine-protein kinase ITK/TSK
Ligandability
Cysteine 463 of Tyrosine-protein kinase ITK/TSK
Cysteine 594 of Tyrosine-protein kinase ITK/TSK
4l7s A 463 A 488
A redox-regulated disulphide may form within Tyrosine-protein kinase ITK/TSK between cysteines 463 and 488. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
25
PDB code
4l7s
Structure name
kinase domain mutant of human itk in complex with an aminobenzothiazole inhibitor
Structure deposition date
2013-06-14
Thiol separation (Å)
10
Half-sphere exposure sum ?
87
Minimum pKa ?
13
% buried
100
Peptide accession
Q08881
Residue number A
463
Residue number B
488
Peptide name
Tyrosine-protein kinase ITK/TSK
Ligandability
Cysteine 463 of Tyrosine-protein kinase ITK/TSK
Cysteine 488 of Tyrosine-protein kinase ITK/TSK
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