ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Phosphoenolpyruvate carboxykinase, cytosolic [GTP]

Intramolecular
Cysteine 38 and cysteine 133
Cysteine 307 and cysteine 413
Cysteine 198 and cysteine 212
Cysteine 192 and cysteine 245
Cysteine 133 and cysteine 198
A redox-regulated disulphide may form within Phosphoenolpyruvate carboxykinase, cytosolic [GTP] between cysteines 38 and 133.

Details

Redox score ?
72
PDB code
1khg
Structure name
pepck
Structure deposition date
2001-11-29
Thiol separation (Å)
4
Half-sphere exposure sum ?
80
Minimum pKa ?
9
% buried
91
Peptide accession
P35558
Residue number A
38
Residue number B
133
Peptide name
Phosphoenolpyruvate carboxykinase, cytosolic [GTP]

Ligandability

Cysteine 38 of Phosphoenolpyruvate carboxykinase, cytosolic [GTP]

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 133 of Phosphoenolpyruvate carboxykinase, cytosolic [GTP]

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 Phosphoenolpyruvate carboxykinase, cytosolic [GTP] between cysteines 307 and 413.

Details

Redox score ?
60
PDB code
1khg
Structure name
pepck
Structure deposition date
2001-11-29
Thiol separation (Å)
5
Half-sphere exposure sum ?
82
Minimum pKa ?
11
% buried
90
Peptide accession
P35558
Residue number A
307
Residue number B
413
Peptide name
Phosphoenolpyruvate carboxykinase, cytosolic [GTP]

Ligandability

Cysteine 307 of Phosphoenolpyruvate carboxykinase, cytosolic [GTP]

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 413 of Phosphoenolpyruvate carboxykinase, cytosolic [GTP]

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 Phosphoenolpyruvate carboxykinase, cytosolic [GTP] between cysteines 198 and 212. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
1nhx
Structure name
pepck complex with a gtp-competitive inhibitor
Structure deposition date
2002-12-19
Thiol separation (Å)
6
Half-sphere exposure sum ?
77
Minimum pKa ?
11
% buried
62
Peptide accession
P35558
Residue number A
198
Residue number B
212
Peptide name
Phosphoenolpyruvate carboxykinase, cytosolic [GTP]

Ligandability

Cysteine 198 of Phosphoenolpyruvate carboxykinase, cytosolic [GTP]

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 212 of Phosphoenolpyruvate carboxykinase, cytosolic [GTP]

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 Phosphoenolpyruvate carboxykinase, cytosolic [GTP] between cysteines 192 and 245. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
1khe
Structure name
pepck complex with nonhydrolyzable gtp analog, mad data
Structure deposition date
2001-11-29
Thiol separation (Å)
8
Half-sphere exposure sum ?
85
Minimum pKa ?
11
% buried
100
Peptide accession
P35558
Residue number A
192
Residue number B
245
Peptide name
Phosphoenolpyruvate carboxykinase, cytosolic [GTP]

Ligandability

Cysteine 192 of Phosphoenolpyruvate carboxykinase, cytosolic [GTP]

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 245 of Phosphoenolpyruvate carboxykinase, cytosolic [GTP]

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 Phosphoenolpyruvate carboxykinase, cytosolic [GTP] between cysteines 133 and 198. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
1khf
Structure name
pepck complex with pep
Structure deposition date
2001-11-29
Thiol separation (Å)
10
Half-sphere exposure sum ?
79
Minimum pKa ?
9
% buried
78
Peptide accession
P35558
Residue number A
133
Residue number B
198
Peptide name
Phosphoenolpyruvate carboxykinase, cytosolic [GTP]

Ligandability

Cysteine 133 of Phosphoenolpyruvate carboxykinase, cytosolic [GTP]

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 198 of Phosphoenolpyruvate carboxykinase, cytosolic [GTP]

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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