ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Inorganic pyrophosphatase

Intramolecular
Cysteine 270 and cysteine 274 L
Cysteine 113 and cysteine 114 L
A redox-regulated disulphide may form within Inorganic pyrophosphatase between cysteines 270 and 274.

Details

Redox score ?
60
PDB code
7btn
Structure name
crystal structure of human inorganic pyrophosphatase with metal ions
Structure deposition date
2020-04-02
Thiol separation (Å)
8
Half-sphere exposure sum ?
35
Minimum pKa ?
9
% buried
0
Peptide accession
Q15181
Residue number A
270
Residue number B
274
Peptide name
Inorganic pyrophosphatase

Ligandability

Cysteine 270 of Inorganic pyrophosphatase

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 274 of Inorganic pyrophosphatase

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Inorganic pyrophosphatase between cysteines 113 and 114. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
59
PDB code
7cmo
Structure name
crystal structure of human inorganic pyrophosphatase
Structure deposition date
2020-07-28
Thiol separation (Å)
8
Half-sphere exposure sum ?
nan
Minimum pKa ?
9
% buried
0
Peptide accession
Q15181
Residue number A
113
Residue number B
114
Peptide name
Inorganic pyrophosphatase

Ligandability

Cysteine 113 of Inorganic pyrophosphatase

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 114 of Inorganic pyrophosphatase

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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