ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Thiamin pyrophosphokinase 1

Intramolecular
Cysteine 44 and cysteine 88
Cysteine 44 and cysteine 104
A redox-regulated disulphide may form within Thiamin pyrophosphokinase 1 between cysteines 44 and 88. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
3s4y
Structure name
crystal structure of human thiamin pyrophosphokinase 1
Structure deposition date
2011-05-20
Thiol separation (Å)
8
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9H3S4
Residue number A
44
Residue number B
88
Peptide name
Thiamin pyrophosphokinase 1

Ligandability

Cysteine 44 of Thiamin pyrophosphokinase 1

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 88 of Thiamin pyrophosphokinase 1

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 Thiamin pyrophosphokinase 1 between cysteines 44 and 104. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
3s4y
Structure name
crystal structure of human thiamin pyrophosphokinase 1
Structure deposition date
2011-05-20
Thiol separation (Å)
8
Half-sphere exposure sum ?
93
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9H3S4
Residue number A
44
Residue number B
104
Peptide name
Thiamin pyrophosphokinase 1

Ligandability

Cysteine 44 of Thiamin pyrophosphokinase 1

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 104 of Thiamin pyrophosphokinase 1

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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