ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Methionine-R-sulfoxide reductase B1

Intramolecular
Cysteine 26 and cysteine 71
Cysteine 23 and cysteine 71
Cysteine 23 and cysteine 74
Cysteine 23 and cysteine 26
Cysteine 26 and cysteine 74
Cysteine 71 and cysteine 74
A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B1 between cysteines 26 and 71.

Details

Redox score ?
84
PDB code
3mao
Structure name
crystal structure of human methionine-r-sulfoxide reductase b1 (msrb1)
Structure deposition date
2010-03-24
Thiol separation (Å)
4
Half-sphere exposure sum ?
58
Minimum pKa ?
6
% buried
8
Peptide accession
Q9NZV6
Residue number A
26
Residue number B
71
Peptide name
Methionine-R-sulfoxide reductase B1

Ligandability

Cysteine 26 of Methionine-R-sulfoxide reductase B1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 71 of Methionine-R-sulfoxide reductase B1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B1 between cysteines 23 and 71.

Details

Redox score ?
83
PDB code
3mao
Structure name
crystal structure of human methionine-r-sulfoxide reductase b1 (msrb1)
Structure deposition date
2010-03-24
Thiol separation (Å)
4
Half-sphere exposure sum ?
73
Minimum pKa ?
6
% buried
19
Peptide accession
Q9NZV6
Residue number A
23
Residue number B
71
Peptide name
Methionine-R-sulfoxide reductase B1

Ligandability

Cysteine 23 of Methionine-R-sulfoxide reductase B1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 71 of Methionine-R-sulfoxide reductase B1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B1 between cysteines 23 and 74.

Details

Redox score ?
80
PDB code
3mao
Structure name
crystal structure of human methionine-r-sulfoxide reductase b1 (msrb1)
Structure deposition date
2010-03-24
Thiol separation (Å)
4
Half-sphere exposure sum ?
59
Minimum pKa ?
7
% buried
11
Peptide accession
Q9NZV6
Residue number A
23
Residue number B
74
Peptide name
Methionine-R-sulfoxide reductase B1

Ligandability

Cysteine 23 of Methionine-R-sulfoxide reductase B1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 74 of Methionine-R-sulfoxide reductase B1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B1 between cysteines 23 and 26.

Details

Redox score ?
80
PDB code
3mao
Structure name
crystal structure of human methionine-r-sulfoxide reductase b1 (msrb1)
Structure deposition date
2010-03-24
Thiol separation (Å)
4
Half-sphere exposure sum ?
57
Minimum pKa ?
7
% buried
11
Peptide accession
Q9NZV6
Residue number A
23
Residue number B
26
Peptide name
Methionine-R-sulfoxide reductase B1

Ligandability

Cysteine 23 of Methionine-R-sulfoxide reductase B1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 26 of Methionine-R-sulfoxide reductase B1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B1 between cysteines 26 and 74.

Details

Redox score ?
76
PDB code
3mao
Structure name
crystal structure of human methionine-r-sulfoxide reductase b1 (msrb1)
Structure deposition date
2010-03-24
Thiol separation (Å)
4
Half-sphere exposure sum ?
44
Minimum pKa ?
9
% buried
0
Peptide accession
Q9NZV6
Residue number A
26
Residue number B
74
Peptide name
Methionine-R-sulfoxide reductase B1

Ligandability

Cysteine 26 of Methionine-R-sulfoxide reductase B1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 74 of Methionine-R-sulfoxide reductase B1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Methionine-R-sulfoxide reductase B1 between cysteines 71 and 74.

Details

Redox score ?
66
PDB code
2kv1
Structure name
insights into function, catalytic mechanism and fold evolution of mouse selenoprotein methionine sulfoxide reductase b1 through structural analysis
Structure deposition date
2010-03-04
Thiol separation (Å)
3
Half-sphere exposure sum ?
51
Minimum pKa ?
18
% buried
6
Peptide accession
Q9JLC3
Residue number A
71
Residue number B
74
Peptide name
Methionine-R-sulfoxide reductase B1

Ligandability

Cysteine 71 of Methionine-R-sulfoxide reductase B1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 74 of Methionine-R-sulfoxide reductase B1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

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