ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Methionine-R-sulfoxide reductase B3

Intramolecular
Cysteine 35 and cysteine 41
Cysteine 89 and cysteine 135
Cysteine 86 and cysteine 135
Cysteine 35 and cysteine 135
Cysteine 86 and cysteine 89
Cysteine 41 and cysteine 135
Cysteine 135 and cysteine 138
Cysteine 41 and cysteine 89
Cysteine 35 and cysteine 89
Cysteine 86 and cysteine 138
More...
Cysteine 35 and cysteine 86
Cysteine 89 and cysteine 138
Cysteine 41 and cysteine 138
Cysteine 35 and cysteine 138
A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B3 between cysteines 35 and 41 (3 and 9 respectively in this structure).

Details

Redox score ?
88
PDB code
6q9v
Structure name
msrb3
Structure deposition date
2018-12-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
45
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8IXL7
Residue number A
35
Residue number B
41
Peptide name
Methionine-R-sulfoxide reductase B3

Ligandability

Cysteine 35 of Methionine-R-sulfoxide reductase B3

Cysteine 41 of Methionine-R-sulfoxide reductase B3

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B3 between cysteines 89 and 135 (57 and 103 respectively in this structure).

Details

Redox score ?
80
PDB code
6q9v
Structure name
msrb3
Structure deposition date
2018-12-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
73
Minimum pKa ?
5
% buried
nan
Peptide accession
Q8IXL7
Residue number A
89
Residue number B
135
Peptide name
Methionine-R-sulfoxide reductase B3

Ligandability

Cysteine 89 of Methionine-R-sulfoxide reductase B3

Cysteine 135 of Methionine-R-sulfoxide reductase B3

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B3 between cysteines 86 and 135 (54 and 103 respectively in this structure).

Details

Redox score ?
77
PDB code
6qa0
Structure name
msrb3 - aa 1-137
Structure deposition date
2018-12-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
83
Minimum pKa ?
5
% buried
80
Peptide accession
Q8IXL7
Residue number A
86
Residue number B
135
Peptide name
Methionine-R-sulfoxide reductase B3

Ligandability

Cysteine 86 of Methionine-R-sulfoxide reductase B3

Cysteine 135 of Methionine-R-sulfoxide reductase B3

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B3 between cysteines 35 and 135 (3 and 103 respectively in this structure).

Details

Redox score ?
63
PDB code
6q9v
Structure name
msrb3
Structure deposition date
2018-12-18
Thiol separation (Å)
7
Half-sphere exposure sum ?
67
Minimum pKa ?
5
% buried
nan
Peptide accession
Q8IXL7
Residue number A
35
Residue number B
135
Peptide name
Methionine-R-sulfoxide reductase B3

Ligandability

Cysteine 35 of Methionine-R-sulfoxide reductase B3

Cysteine 135 of Methionine-R-sulfoxide reductase B3

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B3 between cysteines 86 and 89 (54 and 57 respectively in this structure).

Details

Redox score ?
62
PDB code
6qa0
Structure name
msrb3 - aa 1-137
Structure deposition date
2018-12-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
70
Minimum pKa ?
14
% buried
nan
Peptide accession
Q8IXL7
Residue number A
86
Residue number B
89
Peptide name
Methionine-R-sulfoxide reductase B3

Ligandability

Cysteine 86 of Methionine-R-sulfoxide reductase B3

Cysteine 89 of Methionine-R-sulfoxide reductase B3

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B3 between cysteines 41 and 135 (9 and 103 respectively in this structure).

Details

Redox score ?
60
PDB code
6q9v
Structure name
msrb3
Structure deposition date
2018-12-18
Thiol separation (Å)
8
Half-sphere exposure sum ?
63
Minimum pKa ?
5
% buried
nan
Peptide accession
Q8IXL7
Residue number A
41
Residue number B
135
Peptide name
Methionine-R-sulfoxide reductase B3

Ligandability

Cysteine 41 of Methionine-R-sulfoxide reductase B3

Cysteine 135 of Methionine-R-sulfoxide reductase B3

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B3 between cysteines 135 and 138 (103 and 106 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
57
PDB code
6q9v
Structure name
msrb3
Structure deposition date
2018-12-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
76
Minimum pKa ?
14
% buried
84
Peptide accession
Q8IXL7
Residue number A
135
Residue number B
138
Peptide name
Methionine-R-sulfoxide reductase B3

Ligandability

Cysteine 135 of Methionine-R-sulfoxide reductase B3

Cysteine 138 of Methionine-R-sulfoxide reductase B3

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B3 between cysteines 41 and 89 (9 and 57 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
6q9v
Structure name
msrb3
Structure deposition date
2018-12-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
54
Minimum pKa ?
5
% buried
nan
Peptide accession
Q8IXL7
Residue number A
41
Residue number B
89
Peptide name
Methionine-R-sulfoxide reductase B3

Ligandability

Cysteine 41 of Methionine-R-sulfoxide reductase B3

Cysteine 89 of Methionine-R-sulfoxide reductase B3

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B3 between cysteines 35 and 89 (3 and 57 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
6q9v
Structure name
msrb3
Structure deposition date
2018-12-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
59
Minimum pKa ?
5
% buried
nan
Peptide accession
Q8IXL7
Residue number A
35
Residue number B
89
Peptide name
Methionine-R-sulfoxide reductase B3

Ligandability

Cysteine 35 of Methionine-R-sulfoxide reductase B3

Cysteine 89 of Methionine-R-sulfoxide reductase B3

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B3 between cysteines 86 and 138 (54 and 106 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
6q9v
Structure name
msrb3
Structure deposition date
2018-12-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
nan
Minimum pKa ?
23
% buried
nan
Peptide accession
Q8IXL7
Residue number A
86
Residue number B
138
Peptide name
Methionine-R-sulfoxide reductase B3

Ligandability

Cysteine 86 of Methionine-R-sulfoxide reductase B3

Cysteine 138 of Methionine-R-sulfoxide reductase B3

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B3 between cysteines 35 and 86 (3 and 54 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
6q9v
Structure name
msrb3
Structure deposition date
2018-12-18
Thiol separation (Å)
10
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8IXL7
Residue number A
35
Residue number B
86
Peptide name
Methionine-R-sulfoxide reductase B3

Ligandability

Cysteine 35 of Methionine-R-sulfoxide reductase B3

Cysteine 86 of Methionine-R-sulfoxide reductase B3

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B3 between cysteines 89 and 138 (57 and 106 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
6qa0
Structure name
msrb3 - aa 1-137
Structure deposition date
2018-12-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
64
Minimum pKa ?
22
% buried
nan
Peptide accession
Q8IXL7
Residue number A
89
Residue number B
138
Peptide name
Methionine-R-sulfoxide reductase B3

Ligandability

Cysteine 89 of Methionine-R-sulfoxide reductase B3

Cysteine 138 of Methionine-R-sulfoxide reductase B3

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B3 between cysteines 41 and 138 (9 and 106 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
6q9v
Structure name
msrb3
Structure deposition date
2018-12-18
Thiol separation (Å)
7
Half-sphere exposure sum ?
52
Minimum pKa ?
23
% buried
nan
Peptide accession
Q8IXL7
Residue number A
41
Residue number B
138
Peptide name
Methionine-R-sulfoxide reductase B3

Ligandability

Cysteine 41 of Methionine-R-sulfoxide reductase B3

Cysteine 138 of Methionine-R-sulfoxide reductase B3

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B3 between cysteines 35 and 138 (3 and 106 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
6q9v
Structure name
msrb3
Structure deposition date
2018-12-18
Thiol separation (Å)
7
Half-sphere exposure sum ?
56
Minimum pKa ?
23
% buried
nan
Peptide accession
Q8IXL7
Residue number A
35
Residue number B
138
Peptide name
Methionine-R-sulfoxide reductase B3

Ligandability

Cysteine 35 of Methionine-R-sulfoxide reductase B3

Cysteine 138 of Methionine-R-sulfoxide reductase B3

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