ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Methionine-R-sulfoxide reductase B2, mitochondrial

Intramolecular
Cysteine 83 and cysteine 86
Cysteine 86 and cysteine 142
Cysteine 83 and cysteine 142
Cysteine 139 and cysteine 142
Cysteine 86 and cysteine 139
Cysteine 83 and cysteine 139
Cysteine 85 and cysteine 86
Cysteine 85 and cysteine 142
Cysteine 83 and cysteine 85
Cysteine 85 and cysteine 139
Cysteine 98 and cysteine 162 L
A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B2, mitochondrial between cysteines 83 and 86 (40 and 43 respectively in this structure).

Details

Redox score ?
89
PDB code
2l1u
Structure name
structure-functional analysis of mammalian msrb2 protein
Structure deposition date
2010-08-06
Thiol separation (Å)
3
Half-sphere exposure sum ?
49
Minimum pKa ?
7
% buried
14
Peptide accession
Q78J03
Residue number A
83
Residue number B
86
Peptide name
Methionine-R-sulfoxide reductase B2, mitochondrial

Ligandability

Cysteine 83 of Methionine-R-sulfoxide reductase B2, mitochondrial

Cysteine 86 of Methionine-R-sulfoxide reductase B2, mitochondrial

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B2, mitochondrial between cysteines 86 and 142 (43 and 99 respectively in this structure).

Details

Redox score ?
88
PDB code
2l1u
Structure name
structure-functional analysis of mammalian msrb2 protein
Structure deposition date
2010-08-06
Thiol separation (Å)
3
Half-sphere exposure sum ?
43
Minimum pKa ?
7
% buried
7
Peptide accession
Q78J03
Residue number A
86
Residue number B
142
Peptide name
Methionine-R-sulfoxide reductase B2, mitochondrial

Ligandability

Cysteine 86 of Methionine-R-sulfoxide reductase B2, mitochondrial

Cysteine 142 of Methionine-R-sulfoxide reductase B2, mitochondrial

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B2, mitochondrial between cysteines 83 and 142 (40 and 99 respectively in this structure).

Details

Redox score ?
84
PDB code
2l1u
Structure name
structure-functional analysis of mammalian msrb2 protein
Structure deposition date
2010-08-06
Thiol separation (Å)
3
Half-sphere exposure sum ?
52
Minimum pKa ?
9
% buried
14
Peptide accession
Q78J03
Residue number A
83
Residue number B
142
Peptide name
Methionine-R-sulfoxide reductase B2, mitochondrial

Ligandability

Cysteine 83 of Methionine-R-sulfoxide reductase B2, mitochondrial

Cysteine 142 of Methionine-R-sulfoxide reductase B2, mitochondrial

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B2, mitochondrial between cysteines 139 and 142 (96 and 99 respectively in this structure).

Details

Redox score ?
83
PDB code
2l1u
Structure name
structure-functional analysis of mammalian msrb2 protein
Structure deposition date
2010-08-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q78J03
Residue number A
139
Residue number B
142
Peptide name
Methionine-R-sulfoxide reductase B2, mitochondrial

Ligandability

Cysteine 139 of Methionine-R-sulfoxide reductase B2, mitochondrial

Cysteine 142 of Methionine-R-sulfoxide reductase B2, mitochondrial

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B2, mitochondrial between cysteines 86 and 139 (43 and 96 respectively in this structure).

Details

Redox score ?
82
PDB code
2l1u
Structure name
structure-functional analysis of mammalian msrb2 protein
Structure deposition date
2010-08-06
Thiol separation (Å)
4
Half-sphere exposure sum ?
54
Minimum pKa ?
7
% buried
12
Peptide accession
Q78J03
Residue number A
86
Residue number B
139
Peptide name
Methionine-R-sulfoxide reductase B2, mitochondrial

Ligandability

Cysteine 86 of Methionine-R-sulfoxide reductase B2, mitochondrial

Cysteine 139 of Methionine-R-sulfoxide reductase B2, mitochondrial

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B2, mitochondrial between cysteines 83 and 139 (40 and 96 respectively in this structure).

Details

Redox score ?
77
PDB code
2l1u
Structure name
structure-functional analysis of mammalian msrb2 protein
Structure deposition date
2010-08-06
Thiol separation (Å)
4
Half-sphere exposure sum ?
63
Minimum pKa ?
9
% buried
19
Peptide accession
Q78J03
Residue number A
83
Residue number B
139
Peptide name
Methionine-R-sulfoxide reductase B2, mitochondrial

Ligandability

Cysteine 83 of Methionine-R-sulfoxide reductase B2, mitochondrial

Cysteine 139 of Methionine-R-sulfoxide reductase B2, mitochondrial

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B2, mitochondrial between cysteines 85 and 86 (42 and 43 respectively in this structure).

Details

Redox score ?
72
PDB code
2l1u
Structure name
structure-functional analysis of mammalian msrb2 protein
Structure deposition date
2010-08-06
Thiol separation (Å)
6
Half-sphere exposure sum ?
40
Minimum pKa ?
7
% buried
3
Peptide accession
Q78J03
Residue number A
85
Residue number B
86
Peptide name
Methionine-R-sulfoxide reductase B2, mitochondrial

Ligandability

Cysteine 85 of Methionine-R-sulfoxide reductase B2, mitochondrial

Cysteine 86 of Methionine-R-sulfoxide reductase B2, mitochondrial

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B2, mitochondrial between cysteines 85 and 142 (42 and 99 respectively in this structure).

Details

Redox score ?
70
PDB code
2l1u
Structure name
structure-functional analysis of mammalian msrb2 protein
Structure deposition date
2010-08-06
Thiol separation (Å)
5
Half-sphere exposure sum ?
43
Minimum pKa ?
9
% buried
4
Peptide accession
Q78J03
Residue number A
85
Residue number B
142
Peptide name
Methionine-R-sulfoxide reductase B2, mitochondrial

Ligandability

Cysteine 85 of Methionine-R-sulfoxide reductase B2, mitochondrial

Cysteine 142 of Methionine-R-sulfoxide reductase B2, mitochondrial

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B2, mitochondrial between cysteines 83 and 85 (40 and 42 respectively in this structure).

Details

Redox score ?
64
PDB code
2l1u
Structure name
structure-functional analysis of mammalian msrb2 protein
Structure deposition date
2010-08-06
Thiol separation (Å)
7
Half-sphere exposure sum ?
49
Minimum pKa ?
9
% buried
10
Peptide accession
Q78J03
Residue number A
83
Residue number B
85
Peptide name
Methionine-R-sulfoxide reductase B2, mitochondrial

Ligandability

Cysteine 83 of Methionine-R-sulfoxide reductase B2, mitochondrial

Cysteine 85 of Methionine-R-sulfoxide reductase B2, mitochondrial

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B2, mitochondrial between cysteines 85 and 139 (42 and 96 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
2l1u
Structure name
structure-functional analysis of mammalian msrb2 protein
Structure deposition date
2010-08-06
Thiol separation (Å)
8
Half-sphere exposure sum ?
54
Minimum pKa ?
9
% buried
8
Peptide accession
Q78J03
Residue number A
85
Residue number B
139
Peptide name
Methionine-R-sulfoxide reductase B2, mitochondrial

Ligandability

Cysteine 85 of Methionine-R-sulfoxide reductase B2, mitochondrial

Cysteine 139 of Methionine-R-sulfoxide reductase B2, mitochondrial

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B2, mitochondrial between cysteines 98 and 162 (55 and 119 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
2l1u
Structure name
structure-functional analysis of mammalian msrb2 protein
Structure deposition date
2010-08-06
Thiol separation (Å)
9
Half-sphere exposure sum ?
50
Minimum pKa ?
9
% buried
26
Peptide accession
Q78J03
Residue number A
98
Residue number B
162
Peptide name
Methionine-R-sulfoxide reductase B2, mitochondrial

Ligandability

Cysteine 98 of Methionine-R-sulfoxide reductase B2, mitochondrial

Cysteine 162 of Methionine-R-sulfoxide reductase B2, mitochondrial

If this tool was useful for finding a disulphide, please cite: