ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Inositol-pentakisphosphate 2-kinase

Intramolecular
Cysteine 159 and cysteine 291
Cysteine 159 and cysteine 162
Cysteine 159 and cysteine 181
Cysteine 181 and cysteine 291
Cysteine 162 and cysteine 181
Cysteine 141 and cysteine 159
Cysteine 29 and cysteine 114
Cysteine 89 and cysteine 101 L
Cysteine 29 and cysteine 134
Cysteine 162 and cysteine 291
A redox-regulated disulphide may form within Inositol-pentakisphosphate 2-kinase between cysteines 159 and 291.

Details

Redox score ?
81
PDB code
5mwm
Structure name
inositol 1,3,4,5,6-pentakisphosphate 2-kinase from m
Structure deposition date
2017-01-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
69
Minimum pKa ?
6
% buried
nan
Peptide accession
Q6P1C1
Residue number A
159
Residue number B
291
Peptide name
Inositol-pentakisphosphate 2-kinase

Ligandability

Cysteine 159 of Inositol-pentakisphosphate 2-kinase

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 291 of Inositol-pentakisphosphate 2-kinase

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-pentakisphosphate 2-kinase between cysteines 159 and 162.

Details

Redox score ?
76
PDB code
5mw8
Structure name
inositol 1,3,4,5,6-pentakisphosphate 2-kinase from m
Structure deposition date
2017-01-18
Thiol separation (Å)
3
Half-sphere exposure sum ?
73
Minimum pKa ?
7
% buried
96
Peptide accession
Q6P1C1
Residue number A
159
Residue number B
162
Peptide name
Inositol-pentakisphosphate 2-kinase

Ligandability

Cysteine 159 of Inositol-pentakisphosphate 2-kinase

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 162 of Inositol-pentakisphosphate 2-kinase

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-pentakisphosphate 2-kinase between cysteines 159 and 181.

Details

Redox score ?
75
PDB code
5mw8
Structure name
inositol 1,3,4,5,6-pentakisphosphate 2-kinase from m
Structure deposition date
2017-01-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
79
Minimum pKa ?
7
% buried
90
Peptide accession
Q6P1C1
Residue number A
159
Residue number B
181
Peptide name
Inositol-pentakisphosphate 2-kinase

Ligandability

Cysteine 159 of Inositol-pentakisphosphate 2-kinase

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 181 of Inositol-pentakisphosphate 2-kinase

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-pentakisphosphate 2-kinase between cysteines 181 and 291. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
60
PDB code
5mwl
Structure name
inositol 1,3,4,5,6-pentakisphosphate 2-kinase from m
Structure deposition date
2017-01-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
80
Minimum pKa ?
16
% buried
nan
Peptide accession
Q6P1C1
Residue number A
181
Residue number B
291
Peptide name
Inositol-pentakisphosphate 2-kinase

Ligandability

Cysteine 181 of Inositol-pentakisphosphate 2-kinase

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 291 of Inositol-pentakisphosphate 2-kinase

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-pentakisphosphate 2-kinase between cysteines 162 and 181. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
5mw8
Structure name
inositol 1,3,4,5,6-pentakisphosphate 2-kinase from m
Structure deposition date
2017-01-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
80
Minimum pKa ?
15
% buried
87
Peptide accession
Q6P1C1
Residue number A
162
Residue number B
181
Peptide name
Inositol-pentakisphosphate 2-kinase

Ligandability

Cysteine 162 of Inositol-pentakisphosphate 2-kinase

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 181 of Inositol-pentakisphosphate 2-kinase

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-pentakisphosphate 2-kinase between cysteines 141 and 159. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
5mw8
Structure name
inositol 1,3,4,5,6-pentakisphosphate 2-kinase from m
Structure deposition date
2017-01-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
75
Minimum pKa ?
7
% buried
100
Peptide accession
Q6P1C1
Residue number A
141
Residue number B
159
Peptide name
Inositol-pentakisphosphate 2-kinase

Ligandability

Cysteine 141 of Inositol-pentakisphosphate 2-kinase

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 159 of Inositol-pentakisphosphate 2-kinase

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-pentakisphosphate 2-kinase between cysteines 29 and 114. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
5mwm
Structure name
inositol 1,3,4,5,6-pentakisphosphate 2-kinase from m
Structure deposition date
2017-01-18
Thiol separation (Å)
10
Half-sphere exposure sum ?
nan
Minimum pKa ?
10
% buried
26
Peptide accession
Q6P1C1
Residue number A
29
Residue number B
114
Peptide name
Inositol-pentakisphosphate 2-kinase

Ligandability

Cysteine 29 of Inositol-pentakisphosphate 2-kinase

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 114 of Inositol-pentakisphosphate 2-kinase

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-pentakisphosphate 2-kinase between cysteines 89 and 101. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
5mwm
Structure name
inositol 1,3,4,5,6-pentakisphosphate 2-kinase from m
Structure deposition date
2017-01-18
Thiol separation (Å)
10
Half-sphere exposure sum ?
48
Minimum pKa ?
9
% buried
20
Peptide accession
Q6P1C1
Residue number A
89
Residue number B
101
Peptide name
Inositol-pentakisphosphate 2-kinase

Ligandability

Cysteine 89 of Inositol-pentakisphosphate 2-kinase

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 101 of Inositol-pentakisphosphate 2-kinase

Not ligandable in the dataset of Yang et al.

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-pentakisphosphate 2-kinase between cysteines 29 and 134. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
5mwm
Structure name
inositol 1,3,4,5,6-pentakisphosphate 2-kinase from m
Structure deposition date
2017-01-18
Thiol separation (Å)
10
Half-sphere exposure sum ?
nan
Minimum pKa ?
10
% buried
54
Peptide accession
Q6P1C1
Residue number A
29
Residue number B
134
Peptide name
Inositol-pentakisphosphate 2-kinase

Ligandability

Cysteine 29 of Inositol-pentakisphosphate 2-kinase

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 134 of Inositol-pentakisphosphate 2-kinase

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-pentakisphosphate 2-kinase between cysteines 162 and 291. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
5mwl
Structure name
inositol 1,3,4,5,6-pentakisphosphate 2-kinase from m
Structure deposition date
2017-01-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
70
Minimum pKa ?
24
% buried
nan
Peptide accession
Q6P1C1
Residue number A
162
Residue number B
291
Peptide name
Inositol-pentakisphosphate 2-kinase

Ligandability

Cysteine 162 of Inositol-pentakisphosphate 2-kinase

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 291 of Inositol-pentakisphosphate 2-kinase

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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