ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Inositol oxygenase

Intramolecular
Cysteine 235 and cysteine 708
Cysteine 148 and cysteine 183
Cysteine 183 and cysteine 235
Cysteine 183 and cysteine 708
A redox-regulated disulphide may form within Inositol oxygenase between cysteines 235 and 708.

Details

Redox score ?
89
PDB code
2ibn
Structure name
crystal structure of human myo-inositol oxygenase (miox)
Structure deposition date
2006-09-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9UGB7
Residue number A
235
Residue number B
708
Peptide name
Inositol oxygenase

Ligandability

Cysteine 235 of Inositol oxygenase

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 708 of Inositol oxygenase

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 708 in protein B could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within Inositol oxygenase between cysteines 148 and 183. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
2ibn
Structure name
crystal structure of human myo-inositol oxygenase (miox)
Structure deposition date
2006-09-11
Thiol separation (Å)
9
Half-sphere exposure sum ?
51
Minimum pKa ?
10
% buried
48
Peptide accession
Q9UGB7
Residue number A
148
Residue number B
183
Peptide name
Inositol oxygenase

Ligandability

Cysteine 148 of Inositol oxygenase

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 183 of Inositol oxygenase

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 Inositol oxygenase between cysteines 183 and 235. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
2ibn
Structure name
crystal structure of human myo-inositol oxygenase (miox)
Structure deposition date
2006-09-11
Thiol separation (Å)
9
Half-sphere exposure sum ?
47
Minimum pKa ?
10
% buried
nan
Peptide accession
Q9UGB7
Residue number A
183
Residue number B
235
Peptide name
Inositol oxygenase

Ligandability

Cysteine 183 of Inositol oxygenase

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 235 of Inositol oxygenase

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 Inositol oxygenase between cysteines 183 and 708.

Details

Redox score ?
nan
PDB code
2ibn
Structure name
crystal structure of human myo-inositol oxygenase (miox)
Structure deposition date
2006-09-11
Thiol separation (Å)
10
Half-sphere exposure sum ?
nan
Minimum pKa ?
10
% buried
nan
Peptide accession
Q9UGB7
Residue number A
183
Residue number B
708
Peptide name
Inositol oxygenase

Ligandability

Cysteine 183 of Inositol oxygenase

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 708 of Inositol oxygenase

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 708 in protein B could not be asigned to a Uniprot residue.
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