ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Hexokinase-2

Intramolecular
Cysteine 665 and cysteine 672
Cysteine 237 and cysteine 256
Cysteine 237 and cysteine 704 L
Cysteine 217 and cysteine 224
Cysteine 224 and cysteine 237
Cysteine 672 and cysteine 237
Cysteine 517 and cysteine 704 L
Cysteine 672 and cysteine 704 L
Cysteine 217 and cysteine 237
Cysteine 665 and cysteine 237
Cysteine 224 and cysteine 256
A redox-regulated disulphide may form within Hexokinase-2 between cysteines 665 and 672.

Details

Redox score ?
75
PDB code
5hex
Structure name
crystal structure of human hexokinase 2 with cmpd 30, a 2-amino-6- benzenesulfonamide glucosamine
Structure deposition date
2016-01-06
Thiol separation (Å)
3
Half-sphere exposure sum ?
79
Minimum pKa ?
8
% buried
83
Peptide accession
P52789
Residue number A
665
Residue number B
672
Peptide name
Hexokinase-2

Ligandability

Cysteine 665 of Hexokinase-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 672 of Hexokinase-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 Hexokinase-2 between cysteines 237 and 256.

Details

Redox score ?
71
PDB code
2nzt
Structure name
crystal structure of human hexokinase ii
Structure deposition date
2006-11-25
Thiol separation (Å)
3
Half-sphere exposure sum ?
85
Minimum pKa ?
nan
% buried
nan
Peptide accession
P52789
Residue number A
237
Residue number B
256
Peptide name
Hexokinase-2

Ligandability

Cysteine 237 of Hexokinase-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 256 of Hexokinase-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 Hexokinase-2 between cysteines 237 and 704 (685 and 704 respectively in this structure).

Details

Redox score ?
67
PDB code
5hex
Structure name
crystal structure of human hexokinase 2 with cmpd 30, a 2-amino-6- benzenesulfonamide glucosamine
Structure deposition date
2016-01-06
Thiol separation (Å)
4
Half-sphere exposure sum ?
85
Minimum pKa ?
9
% buried
100
Peptide accession
P52789
Residue number A
237
Residue number B
704
Peptide name
Hexokinase-2

Ligandability

Cysteine 237 of Hexokinase-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 704 of Hexokinase-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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Hexokinase-2 between cysteines 217 and 224. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
5hg1
Structure name
crystal structure of human hexokinase 2 with cmpd 1, a c-2-substituted glucosamine
Structure deposition date
2016-01-07
Thiol separation (Å)
5
Half-sphere exposure sum ?
81
Minimum pKa ?
12
% buried
86
Peptide accession
P52789
Residue number A
217
Residue number B
224
Peptide name
Hexokinase-2

Ligandability

Cysteine 217 of Hexokinase-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 224 of Hexokinase-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 Hexokinase-2 between cysteines 224 and 237. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
5hex
Structure name
crystal structure of human hexokinase 2 with cmpd 30, a 2-amino-6- benzenesulfonamide glucosamine
Structure deposition date
2016-01-06
Thiol separation (Å)
8
Half-sphere exposure sum ?
86
Minimum pKa ?
8
% buried
100
Peptide accession
P52789
Residue number A
224
Residue number B
237
Peptide name
Hexokinase-2

Ligandability

Cysteine 224 of Hexokinase-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 237 of Hexokinase-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 Hexokinase-2 between cysteines 672 and 237 (672 and 685 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
2nzt
Structure name
crystal structure of human hexokinase ii
Structure deposition date
2006-11-25
Thiol separation (Å)
8
Half-sphere exposure sum ?
84
Minimum pKa ?
nan
% buried
nan
Peptide accession
P52789
Residue number A
672
Residue number B
237
Peptide name
Hexokinase-2

Ligandability

Cysteine 672 of Hexokinase-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 237 of Hexokinase-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 Hexokinase-2 between cysteines 517 and 704. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
5hfu
Structure name
crystal structure of human hexokinase 2 with cmpd 27, a 2-amido-6- benzenesulfonamide glucosamine
Structure deposition date
2016-01-07
Thiol separation (Å)
9
Half-sphere exposure sum ?
68
Minimum pKa ?
9
% buried
74
Peptide accession
P52789
Residue number A
517
Residue number B
704
Peptide name
Hexokinase-2

Ligandability

Cysteine 517 of Hexokinase-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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 704 of Hexokinase-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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Hexokinase-2 between cysteines 672 and 704. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
2nzt
Structure name
crystal structure of human hexokinase ii
Structure deposition date
2006-11-25
Thiol separation (Å)
10
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
P52789
Residue number A
672
Residue number B
704
Peptide name
Hexokinase-2

Ligandability

Cysteine 672 of Hexokinase-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 704 of Hexokinase-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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Hexokinase-2 between cysteines 217 and 237. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
5hex
Structure name
crystal structure of human hexokinase 2 with cmpd 30, a 2-amino-6- benzenesulfonamide glucosamine
Structure deposition date
2016-01-06
Thiol separation (Å)
10
Half-sphere exposure sum ?
90
Minimum pKa ?
8
% buried
92
Peptide accession
P52789
Residue number A
217
Residue number B
237
Peptide name
Hexokinase-2

Ligandability

Cysteine 217 of Hexokinase-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 237 of Hexokinase-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 Hexokinase-2 between cysteines 665 and 237 (665 and 685 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
5hex
Structure name
crystal structure of human hexokinase 2 with cmpd 30, a 2-amino-6- benzenesulfonamide glucosamine
Structure deposition date
2016-01-06
Thiol separation (Å)
10
Half-sphere exposure sum ?
87
Minimum pKa ?
9
% buried
86
Peptide accession
P52789
Residue number A
665
Residue number B
237
Peptide name
Hexokinase-2

Ligandability

Cysteine 665 of Hexokinase-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 237 of Hexokinase-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 Hexokinase-2 between cysteines 224 and 256. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
5hfu
Structure name
crystal structure of human hexokinase 2 with cmpd 27, a 2-amido-6- benzenesulfonamide glucosamine
Structure deposition date
2016-01-07
Thiol separation (Å)
9
Half-sphere exposure sum ?
76
Minimum pKa ?
13
% buried
100
Peptide accession
P52789
Residue number A
224
Residue number B
256
Peptide name
Hexokinase-2

Ligandability

Cysteine 224 of Hexokinase-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 256 of Hexokinase-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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