ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2

Intramolecular
Cysteine 298 and cysteine 306
Cysteine 94 and cysteine 96
Cysteine 49 and cysteine 94
A redox-regulated disulphide may form within Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 between cysteines 298 and 306.

Details

Redox score ?
77
PDB code
3t54
Structure name
crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (ppip5k2) in complex with atp and cadmium
Structure deposition date
2011-07-26
Thiol separation (Å)
4
Half-sphere exposure sum ?
80
Minimum pKa ?
4
% buried
87
Peptide accession
O43314
Residue number A
298
Residue number B
306
Peptide name
Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2

Ligandability

Cysteine 298 of Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2

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 306 of Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2

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 hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 between cysteines 94 and 96. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
5byb
Structure name
crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (ppip5k2) in complex with adp and 1,5- (pa)2-ip4
Structure deposition date
2015-06-10
Thiol separation (Å)
7
Half-sphere exposure sum ?
68
Minimum pKa ?
11
% buried
86
Peptide accession
O43314
Residue number A
94
Residue number B
96
Peptide name
Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2

Ligandability

Cysteine 94 of Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2

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 96 of Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2

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 hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 between cysteines 49 and 94. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
5dgi
Structure name
crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (ppip5k2) in complex with adp and 3,5- (pcp)2-ip4
Structure deposition date
2015-08-27
Thiol separation (Å)
8
Half-sphere exposure sum ?
74
Minimum pKa ?
11
% buried
86
Peptide accession
O43314
Residue number A
49
Residue number B
94
Peptide name
Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2

Ligandability

Cysteine 49 of Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2

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 94 of Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2

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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