ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Hepatocyte nuclear factor 4-alpha

Intramolecular
Cysteine 96 and cysteine 102
Cysteine 96 and cysteine 112
Cysteine 96 and cysteine 115
Cysteine 60 and cysteine 63
Cysteine 60 and cysteine 80
Cysteine 77 and cysteine 80
Cysteine 102 and cysteine 112
Cysteine 63 and cysteine 80
Cysteine 102 and cysteine 115
Cysteine 112 and cysteine 115
More...
Cysteine 63 and cysteine 77
Cysteine 60 and cysteine 77
Cysteine 80 and cysteine 120
Cysteine 63 and cysteine 120
Cysteine 60 and cysteine 120
Cysteine 77 and cysteine 120
A redox-regulated disulphide may form within Hepatocyte nuclear factor 4-alpha between cysteines 96 and 102 (87 and 93 respectively in this structure).

Details

Redox score ?
100
PDB code
4iqr
Structure name
multi-domain organization of the hnf4alpha nuclear receptor complex on dna
Structure deposition date
2013-01-13
Thiol separation (Å)
3
Half-sphere exposure sum ?
54
Minimum pKa ?
0
% buried
38
Peptide accession
P41235
Residue number A
96
Residue number B
102
Peptide name
Hepatocyte nuclear factor 4-alpha

Ligandability

Cysteine 96 of Hepatocyte nuclear factor 4-alpha

Cysteine 102 of Hepatocyte nuclear factor 4-alpha

A redox-regulated disulphide may form within Hepatocyte nuclear factor 4-alpha between cysteines 96 and 112 (87 and 103 respectively in this structure).

Details

Redox score ?
96
PDB code
4iqr
Structure name
multi-domain organization of the hnf4alpha nuclear receptor complex on dna
Structure deposition date
2013-01-13
Thiol separation (Å)
4
Half-sphere exposure sum ?
60
Minimum pKa ?
0
% buried
54
Peptide accession
P41235
Residue number A
96
Residue number B
112
Peptide name
Hepatocyte nuclear factor 4-alpha

Ligandability

Cysteine 96 of Hepatocyte nuclear factor 4-alpha

Cysteine 112 of Hepatocyte nuclear factor 4-alpha

A redox-regulated disulphide may form within Hepatocyte nuclear factor 4-alpha between cysteines 96 and 115 (87 and 106 respectively in this structure).

Details

Redox score ?
85
PDB code
4iqr
Structure name
multi-domain organization of the hnf4alpha nuclear receptor complex on dna
Structure deposition date
2013-01-13
Thiol separation (Å)
4
Half-sphere exposure sum ?
47
Minimum pKa ?
6
% buried
2
Peptide accession
P41235
Residue number A
96
Residue number B
115
Peptide name
Hepatocyte nuclear factor 4-alpha

Ligandability

Cysteine 96 of Hepatocyte nuclear factor 4-alpha

Cysteine 115 of Hepatocyte nuclear factor 4-alpha

A redox-regulated disulphide may form within Hepatocyte nuclear factor 4-alpha between cysteines 60 and 63 (51 and 54 respectively in this structure).

Details

Redox score ?
84
PDB code
4iqr
Structure name
multi-domain organization of the hnf4alpha nuclear receptor complex on dna
Structure deposition date
2013-01-13
Thiol separation (Å)
4
Half-sphere exposure sum ?
67
Minimum pKa ?
5
% buried
nan
Peptide accession
P41235
Residue number A
60
Residue number B
63
Peptide name
Hepatocyte nuclear factor 4-alpha

Ligandability

Cysteine 60 of Hepatocyte nuclear factor 4-alpha

Cysteine 63 of Hepatocyte nuclear factor 4-alpha

A redox-regulated disulphide may form within Hepatocyte nuclear factor 4-alpha between cysteines 60 and 80 (51 and 71 respectively in this structure).

Details

Redox score ?
83
PDB code
4iqr
Structure name
multi-domain organization of the hnf4alpha nuclear receptor complex on dna
Structure deposition date
2013-01-13
Thiol separation (Å)
4
Half-sphere exposure sum ?
71
Minimum pKa ?
5
% buried
nan
Peptide accession
P41235
Residue number A
60
Residue number B
80
Peptide name
Hepatocyte nuclear factor 4-alpha

Ligandability

Cysteine 60 of Hepatocyte nuclear factor 4-alpha

Cysteine 80 of Hepatocyte nuclear factor 4-alpha

A redox-regulated disulphide may form within Hepatocyte nuclear factor 4-alpha between cysteines 77 and 80 (68 and 71 respectively in this structure).

Details

Redox score ?
83
PDB code
4iqr
Structure name
multi-domain organization of the hnf4alpha nuclear receptor complex on dna
Structure deposition date
2013-01-13
Thiol separation (Å)
3
Half-sphere exposure sum ?
70
Minimum pKa ?
5
% buried
84
Peptide accession
P41235
Residue number A
77
Residue number B
80
Peptide name
Hepatocyte nuclear factor 4-alpha

Ligandability

Cysteine 77 of Hepatocyte nuclear factor 4-alpha

Cysteine 80 of Hepatocyte nuclear factor 4-alpha

A redox-regulated disulphide may form within Hepatocyte nuclear factor 4-alpha between cysteines 102 and 112 (93 and 103 respectively in this structure).

Details

Redox score ?
83
PDB code
4iqr
Structure name
multi-domain organization of the hnf4alpha nuclear receptor complex on dna
Structure deposition date
2013-01-13
Thiol separation (Å)
3
Half-sphere exposure sum ?
59
Minimum pKa ?
6
% buried
57
Peptide accession
P41235
Residue number A
102
Residue number B
112
Peptide name
Hepatocyte nuclear factor 4-alpha

Ligandability

Cysteine 102 of Hepatocyte nuclear factor 4-alpha

Cysteine 112 of Hepatocyte nuclear factor 4-alpha

A redox-regulated disulphide may form within Hepatocyte nuclear factor 4-alpha between cysteines 63 and 80 (54 and 71 respectively in this structure).

Details

Redox score ?
82
PDB code
4iqr
Structure name
multi-domain organization of the hnf4alpha nuclear receptor complex on dna
Structure deposition date
2013-01-13
Thiol separation (Å)
3
Half-sphere exposure sum ?
76
Minimum pKa ?
5
% buried
68
Peptide accession
P41235
Residue number A
63
Residue number B
80
Peptide name
Hepatocyte nuclear factor 4-alpha

Ligandability

Cysteine 63 of Hepatocyte nuclear factor 4-alpha

Cysteine 80 of Hepatocyte nuclear factor 4-alpha

A redox-regulated disulphide may form within Hepatocyte nuclear factor 4-alpha between cysteines 102 and 115 (93 and 106 respectively in this structure).

Details

Redox score ?
80
PDB code
4iqr
Structure name
multi-domain organization of the hnf4alpha nuclear receptor complex on dna
Structure deposition date
2013-01-13
Thiol separation (Å)
3
Half-sphere exposure sum ?
53
Minimum pKa ?
9
% buried
2
Peptide accession
P41235
Residue number A
102
Residue number B
115
Peptide name
Hepatocyte nuclear factor 4-alpha

Ligandability

Cysteine 102 of Hepatocyte nuclear factor 4-alpha

Cysteine 115 of Hepatocyte nuclear factor 4-alpha

A redox-regulated disulphide may form within Hepatocyte nuclear factor 4-alpha between cysteines 112 and 115 (103 and 106 respectively in this structure).

Details

Redox score ?
76
PDB code
3cbb
Structure name
crystal structure of hepatocyte nuclear factor 4alpha in complex with dna: diabetes gene product
Structure deposition date
2008-02-21
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
8
% buried
22
Peptide accession
P41235
Residue number A
112
Residue number B
115
Peptide name
Hepatocyte nuclear factor 4-alpha

Ligandability

Cysteine 112 of Hepatocyte nuclear factor 4-alpha

Cysteine 115 of Hepatocyte nuclear factor 4-alpha

A redox-regulated disulphide may form within Hepatocyte nuclear factor 4-alpha between cysteines 63 and 77 (54 and 68 respectively in this structure).

Details

Redox score ?
64
PDB code
4iqr
Structure name
multi-domain organization of the hnf4alpha nuclear receptor complex on dna
Structure deposition date
2013-01-13
Thiol separation (Å)
4
Half-sphere exposure sum ?
66
Minimum pKa ?
13
% buried
66
Peptide accession
P41235
Residue number A
63
Residue number B
77
Peptide name
Hepatocyte nuclear factor 4-alpha

Ligandability

Cysteine 63 of Hepatocyte nuclear factor 4-alpha

Cysteine 77 of Hepatocyte nuclear factor 4-alpha

A redox-regulated disulphide may form within Hepatocyte nuclear factor 4-alpha between cysteines 60 and 77 (51 and 68 respectively in this structure).

Details

Redox score ?
63
PDB code
4iqr
Structure name
multi-domain organization of the hnf4alpha nuclear receptor complex on dna
Structure deposition date
2013-01-13
Thiol separation (Å)
4
Half-sphere exposure sum ?
59
Minimum pKa ?
14
% buried
nan
Peptide accession
P41235
Residue number A
60
Residue number B
77
Peptide name
Hepatocyte nuclear factor 4-alpha

Ligandability

Cysteine 60 of Hepatocyte nuclear factor 4-alpha

Cysteine 77 of Hepatocyte nuclear factor 4-alpha

A redox-regulated disulphide may form within Hepatocyte nuclear factor 4-alpha between cysteines 80 and 120 (71 and 111 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
60
PDB code
3cbb
Structure name
crystal structure of hepatocyte nuclear factor 4alpha in complex with dna: diabetes gene product
Structure deposition date
2008-02-21
Thiol separation (Å)
5
Half-sphere exposure sum ?
83
Minimum pKa ?
11
% buried
92
Peptide accession
P41235
Residue number A
80
Residue number B
120
Peptide name
Hepatocyte nuclear factor 4-alpha

Ligandability

Cysteine 80 of Hepatocyte nuclear factor 4-alpha

Cysteine 120 of Hepatocyte nuclear factor 4-alpha

A redox-regulated disulphide may form within Hepatocyte nuclear factor 4-alpha between cysteines 63 and 120 (54 and 111 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
3cbb
Structure name
crystal structure of hepatocyte nuclear factor 4alpha in complex with dna: diabetes gene product
Structure deposition date
2008-02-21
Thiol separation (Å)
9
Half-sphere exposure sum ?
73
Minimum pKa ?
4
% buried
72
Peptide accession
P41235
Residue number A
63
Residue number B
120
Peptide name
Hepatocyte nuclear factor 4-alpha

Ligandability

Cysteine 63 of Hepatocyte nuclear factor 4-alpha

Cysteine 120 of Hepatocyte nuclear factor 4-alpha

A redox-regulated disulphide may form within Hepatocyte nuclear factor 4-alpha between cysteines 60 and 120 (51 and 111 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
4iqr
Structure name
multi-domain organization of the hnf4alpha nuclear receptor complex on dna
Structure deposition date
2013-01-13
Thiol separation (Å)
8
Half-sphere exposure sum ?
68
Minimum pKa ?
12
% buried
nan
Peptide accession
P41235
Residue number A
60
Residue number B
120
Peptide name
Hepatocyte nuclear factor 4-alpha

Ligandability

Cysteine 60 of Hepatocyte nuclear factor 4-alpha

Cysteine 120 of Hepatocyte nuclear factor 4-alpha

A redox-regulated disulphide may form within Hepatocyte nuclear factor 4-alpha between cysteines 77 and 120 (68 and 111 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
4iqr
Structure name
multi-domain organization of the hnf4alpha nuclear receptor complex on dna
Structure deposition date
2013-01-13
Thiol separation (Å)
9
Half-sphere exposure sum ?
69
Minimum pKa ?
13
% buried
88
Peptide accession
P41235
Residue number A
77
Residue number B
120
Peptide name
Hepatocyte nuclear factor 4-alpha

Ligandability

Cysteine 77 of Hepatocyte nuclear factor 4-alpha

Cysteine 120 of Hepatocyte nuclear factor 4-alpha

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