ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Nuclear receptor subfamily 6 group A member 1

Intramolecular
Cysteine 111 and cysteine 117
Cysteine 111 and cysteine 127
Cysteine 111 and cysteine 130
Cysteine 78 and cysteine 92
Cysteine 117 and cysteine 127
Cysteine 127 and cysteine 130
Cysteine 117 and cysteine 130
Cysteine 75 and cysteine 92
Cysteine 75 and cysteine 78
Cysteine 75 and cysteine 95
More...
Cysteine 78 and cysteine 95
Cysteine 92 and cysteine 95
Cysteine 95 and cysteine 135
Cysteine 75 and cysteine 135
Cysteine 78 and cysteine 135
Cysteine 92 and cysteine 135
A redox-regulated disulphide may form within Nuclear receptor subfamily 6 group A member 1 between cysteines 111 and 117.

Details

Redox score ?
90
PDB code
5krb
Structure name
gcnf dna binding domain - oct4 dr0 complex
Structure deposition date
2016-07-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
42
Minimum pKa ?
6
% buried
0
Peptide accession
Q64249
Residue number A
111
Residue number B
117
Peptide name
Nuclear receptor subfamily 6 group A member 1

Ligandability

Cysteine 111 of Nuclear receptor subfamily 6 group A member 1

Cysteine 117 of Nuclear receptor subfamily 6 group A member 1

A redox-regulated disulphide may form within Nuclear receptor subfamily 6 group A member 1 between cysteines 111 and 127.

Details

Redox score ?
89
PDB code
5krb
Structure name
gcnf dna binding domain - oct4 dr0 complex
Structure deposition date
2016-07-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
42
Minimum pKa ?
6
% buried
6
Peptide accession
Q64249
Residue number A
111
Residue number B
127
Peptide name
Nuclear receptor subfamily 6 group A member 1

Ligandability

Cysteine 111 of Nuclear receptor subfamily 6 group A member 1

Cysteine 127 of Nuclear receptor subfamily 6 group A member 1

A redox-regulated disulphide may form within Nuclear receptor subfamily 6 group A member 1 between cysteines 111 and 130.

Details

Redox score ?
85
PDB code
5krb
Structure name
gcnf dna binding domain - oct4 dr0 complex
Structure deposition date
2016-07-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
48
Minimum pKa ?
6
% buried
2
Peptide accession
Q64249
Residue number A
111
Residue number B
130
Peptide name
Nuclear receptor subfamily 6 group A member 1

Ligandability

Cysteine 111 of Nuclear receptor subfamily 6 group A member 1

Cysteine 130 of Nuclear receptor subfamily 6 group A member 1

A redox-regulated disulphide may form within Nuclear receptor subfamily 6 group A member 1 between cysteines 78 and 92.

Details

Redox score ?
82
PDB code
5krb
Structure name
gcnf dna binding domain - oct4 dr0 complex
Structure deposition date
2016-07-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
58
Minimum pKa ?
5
% buried
62
Peptide accession
Q64249
Residue number A
78
Residue number B
92
Peptide name
Nuclear receptor subfamily 6 group A member 1

Ligandability

Cysteine 78 of Nuclear receptor subfamily 6 group A member 1

Cysteine 92 of Nuclear receptor subfamily 6 group A member 1

A redox-regulated disulphide may form within Nuclear receptor subfamily 6 group A member 1 between cysteines 117 and 127.

Details

Redox score ?
81
PDB code
5krb
Structure name
gcnf dna binding domain - oct4 dr0 complex
Structure deposition date
2016-07-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
49
Minimum pKa ?
10
% buried
10
Peptide accession
Q64249
Residue number A
117
Residue number B
127
Peptide name
Nuclear receptor subfamily 6 group A member 1

Ligandability

Cysteine 117 of Nuclear receptor subfamily 6 group A member 1

Cysteine 127 of Nuclear receptor subfamily 6 group A member 1

A redox-regulated disulphide may form within Nuclear receptor subfamily 6 group A member 1 between cysteines 127 and 130.

Details

Redox score ?
79
PDB code
5krb
Structure name
gcnf dna binding domain - oct4 dr0 complex
Structure deposition date
2016-07-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
58
Minimum pKa ?
8
% buried
12
Peptide accession
Q64249
Residue number A
127
Residue number B
130
Peptide name
Nuclear receptor subfamily 6 group A member 1

Ligandability

Cysteine 127 of Nuclear receptor subfamily 6 group A member 1

Cysteine 130 of Nuclear receptor subfamily 6 group A member 1

A redox-regulated disulphide may form within Nuclear receptor subfamily 6 group A member 1 between cysteines 117 and 130.

Details

Redox score ?
77
PDB code
5krb
Structure name
gcnf dna binding domain - oct4 dr0 complex
Structure deposition date
2016-07-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
55
Minimum pKa ?
9
% buried
2
Peptide accession
Q64249
Residue number A
117
Residue number B
130
Peptide name
Nuclear receptor subfamily 6 group A member 1

Ligandability

Cysteine 117 of Nuclear receptor subfamily 6 group A member 1

Cysteine 130 of Nuclear receptor subfamily 6 group A member 1

A redox-regulated disulphide may form within Nuclear receptor subfamily 6 group A member 1 between cysteines 75 and 92.

Details

Redox score ?
68
PDB code
5krb
Structure name
gcnf dna binding domain - oct4 dr0 complex
Structure deposition date
2016-07-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
13
% buried
nan
Peptide accession
Q64249
Residue number A
75
Residue number B
92
Peptide name
Nuclear receptor subfamily 6 group A member 1

Ligandability

Cysteine 75 of Nuclear receptor subfamily 6 group A member 1

Cysteine 92 of Nuclear receptor subfamily 6 group A member 1

A redox-regulated disulphide may form within Nuclear receptor subfamily 6 group A member 1 between cysteines 75 and 78.

Details

Redox score ?
68
PDB code
5krb
Structure name
gcnf dna binding domain - oct4 dr0 complex
Structure deposition date
2016-07-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
63
Minimum pKa ?
13
% buried
66
Peptide accession
Q64249
Residue number A
75
Residue number B
78
Peptide name
Nuclear receptor subfamily 6 group A member 1

Ligandability

Cysteine 75 of Nuclear receptor subfamily 6 group A member 1

Cysteine 78 of Nuclear receptor subfamily 6 group A member 1

A redox-regulated disulphide may form within Nuclear receptor subfamily 6 group A member 1 between cysteines 75 and 95.

Details

Redox score ?
65
PDB code
5krb
Structure name
gcnf dna binding domain - oct4 dr0 complex
Structure deposition date
2016-07-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
73
Minimum pKa ?
13
% buried
78
Peptide accession
Q64249
Residue number A
75
Residue number B
95
Peptide name
Nuclear receptor subfamily 6 group A member 1

Ligandability

Cysteine 75 of Nuclear receptor subfamily 6 group A member 1

Cysteine 95 of Nuclear receptor subfamily 6 group A member 1

A redox-regulated disulphide may form within Nuclear receptor subfamily 6 group A member 1 between cysteines 78 and 95.

Details

Redox score ?
62
PDB code
5krb
Structure name
gcnf dna binding domain - oct4 dr0 complex
Structure deposition date
2016-07-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
74
Minimum pKa ?
13
% buried
80
Peptide accession
Q64249
Residue number A
78
Residue number B
95
Peptide name
Nuclear receptor subfamily 6 group A member 1

Ligandability

Cysteine 78 of Nuclear receptor subfamily 6 group A member 1

Cysteine 95 of Nuclear receptor subfamily 6 group A member 1

A redox-regulated disulphide may form within Nuclear receptor subfamily 6 group A member 1 between cysteines 92 and 95.

Details

Redox score ?
62
PDB code
5krb
Structure name
gcnf dna binding domain - oct4 dr0 complex
Structure deposition date
2016-07-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
69
Minimum pKa ?
13
% buried
77
Peptide accession
Q64249
Residue number A
92
Residue number B
95
Peptide name
Nuclear receptor subfamily 6 group A member 1

Ligandability

Cysteine 92 of Nuclear receptor subfamily 6 group A member 1

Cysteine 95 of Nuclear receptor subfamily 6 group A member 1

A redox-regulated disulphide may form within Nuclear receptor subfamily 6 group A member 1 between cysteines 95 and 135.

Details

Redox score ?
60
PDB code
5krb
Structure name
gcnf dna binding domain - oct4 dr0 complex
Structure deposition date
2016-07-07
Thiol separation (Å)
5
Half-sphere exposure sum ?
77
Minimum pKa ?
12
% buried
88
Peptide accession
Q64249
Residue number A
95
Residue number B
135
Peptide name
Nuclear receptor subfamily 6 group A member 1

Ligandability

Cysteine 95 of Nuclear receptor subfamily 6 group A member 1

Cysteine 135 of Nuclear receptor subfamily 6 group A member 1

A redox-regulated disulphide may form within Nuclear receptor subfamily 6 group A member 1 between cysteines 75 and 135. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
5krb
Structure name
gcnf dna binding domain - oct4 dr0 complex
Structure deposition date
2016-07-07
Thiol separation (Å)
7
Half-sphere exposure sum ?
67
Minimum pKa ?
11
% buried
78
Peptide accession
Q64249
Residue number A
75
Residue number B
135
Peptide name
Nuclear receptor subfamily 6 group A member 1

Ligandability

Cysteine 75 of Nuclear receptor subfamily 6 group A member 1

Cysteine 135 of Nuclear receptor subfamily 6 group A member 1

A redox-regulated disulphide may form within Nuclear receptor subfamily 6 group A member 1 between cysteines 78 and 135. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
5krb
Structure name
gcnf dna binding domain - oct4 dr0 complex
Structure deposition date
2016-07-07
Thiol separation (Å)
9
Half-sphere exposure sum ?
68
Minimum pKa ?
11
% buried
80
Peptide accession
Q64249
Residue number A
78
Residue number B
135
Peptide name
Nuclear receptor subfamily 6 group A member 1

Ligandability

Cysteine 78 of Nuclear receptor subfamily 6 group A member 1

Cysteine 135 of Nuclear receptor subfamily 6 group A member 1

A redox-regulated disulphide may form within Nuclear receptor subfamily 6 group A member 1 between cysteines 92 and 135. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
5krb
Structure name
gcnf dna binding domain - oct4 dr0 complex
Structure deposition date
2016-07-07
Thiol separation (Å)
9
Half-sphere exposure sum ?
64
Minimum pKa ?
12
% buried
84
Peptide accession
Q64249
Residue number A
92
Residue number B
135
Peptide name
Nuclear receptor subfamily 6 group A member 1

Ligandability

Cysteine 92 of Nuclear receptor subfamily 6 group A member 1

Cysteine 135 of Nuclear receptor subfamily 6 group A member 1

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