ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Hexokinase-1

Intramolecular
Cysteine 665 and cysteine 672
Cysteine 237 and cysteine 256
Cysteine 685 and cysteine 704
Cysteine 685 and cysteine 704
Cysteine 217 and cysteine 224
Cysteine 672 and cysteine 685
Cysteine 606 and cysteine 613
Cysteine 672 and cysteine 704
Cysteine 224 and cysteine 237
Cysteine 224 and cysteine 256
More...
Cysteine 672 and cysteine 685
Cysteine 217 and cysteine 237
Cysteine 665 and cysteine 685
A redox-regulated disulphide may form within Hexokinase-1 between cysteines 665 and 672.

Details

Redox score ?
77
PDB code
1dgk
Structure name
mutant monomer of recombinant human hexokinase type i with glucose and adp in the active site
Structure deposition date
1999-11-24
Thiol separation (Å)
3
Half-sphere exposure sum ?
77
Minimum pKa ?
8
% buried
77
Peptide accession
P19367
Residue number A
665
Residue number B
672
Peptide name
Hexokinase-1

Ligandability

Cysteine 665 of Hexokinase-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 672 of Hexokinase-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 Hexokinase-1 between cysteines 237 and 256.

Details

Redox score ?
70
PDB code
1cza
Structure name
mutant monomer of recombinant human hexokinase type i complexed with glucose, glucose-6-phosphate, and adp
Structure deposition date
1999-09-01
Thiol separation (Å)
4
Half-sphere exposure sum ?
86
Minimum pKa ?
8
% buried
100
Peptide accession
P19367
Residue number A
237
Residue number B
256
Peptide name
Hexokinase-1

Ligandability

Cysteine 237 of Hexokinase-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 256 of Hexokinase-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 Hexokinase-1 between cysteines 685 and 704.

Details

Redox score ?
69
PDB code
1bg3
Structure name
rat brain hexokinase type i complex with glucose and inhibitor glucose-6-phosphate
Structure deposition date
1998-06-04
Thiol separation (Å)
4
Half-sphere exposure sum ?
84
Minimum pKa ?
9
% buried
100
Peptide accession
P05708
Residue number A
685
Residue number B
704
Peptide name
Hexokinase-1

Ligandability

Cysteine 685 of Hexokinase-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 704 of Hexokinase-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 Hexokinase-1 between cysteines 685 and 704.

Details

Redox score ?
69
PDB code
1dgk
Structure name
mutant monomer of recombinant human hexokinase type i with glucose and adp in the active site
Structure deposition date
1999-11-24
Thiol separation (Å)
4
Half-sphere exposure sum ?
84
Minimum pKa ?
9
% buried
100
Peptide accession
P19367
Residue number A
685
Residue number B
704
Peptide name
Hexokinase-1

Ligandability

Cysteine 685 of Hexokinase-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 704 of Hexokinase-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 Hexokinase-1 between cysteines 217 and 224.

Details

Redox score ?
68
PDB code
4fpa
Structure name
crystal structure of recombinant human hexokinase type i mutant d413n glucose 6-phosphate
Structure deposition date
2012-06-21
Thiol separation (Å)
5
Half-sphere exposure sum ?
76
Minimum pKa ?
8
% buried
88
Peptide accession
P19367
Residue number A
217
Residue number B
224
Peptide name
Hexokinase-1

Ligandability

Cysteine 217 of Hexokinase-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 224 of Hexokinase-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 Hexokinase-1 between cysteines 672 and 685. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
1bg3
Structure name
rat brain hexokinase type i complex with glucose and inhibitor glucose-6-phosphate
Structure deposition date
1998-06-04
Thiol separation (Å)
8
Half-sphere exposure sum ?
83
Minimum pKa ?
9
% buried
98
Peptide accession
P05708
Residue number A
672
Residue number B
685
Peptide name
Hexokinase-1

Ligandability

Cysteine 672 of Hexokinase-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 685 of Hexokinase-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 Hexokinase-1 between cysteines 606 and 613. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
1bg3
Structure name
rat brain hexokinase type i complex with glucose and inhibitor glucose-6-phosphate
Structure deposition date
1998-06-04
Thiol separation (Å)
9
Half-sphere exposure sum ?
75
Minimum pKa ?
9
% buried
66
Peptide accession
P05708
Residue number A
606
Residue number B
613
Peptide name
Hexokinase-1

Ligandability

Cysteine 606 of Hexokinase-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 613 of Hexokinase-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 Hexokinase-1 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
4foi
Structure name
crystal structure of recombinant human hexokinase type i mutant d413n with glucose 1,6-bisphosphate
Structure deposition date
2012-06-20
Thiol separation (Å)
10
Half-sphere exposure sum ?
75
Minimum pKa ?
9
% buried
97
Peptide accession
P19367
Residue number A
672
Residue number B
704
Peptide name
Hexokinase-1

Ligandability

Cysteine 672 of Hexokinase-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 704 of Hexokinase-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 Hexokinase-1 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 ?
36
PDB code
1hkb
Structure name
crystal structure of recombinant human brain hexokinase type i complexed with glucose and glucose-6-phosphate
Structure deposition date
1997-12-01
Thiol separation (Å)
8
Half-sphere exposure sum ?
83
Minimum pKa ?
13
% buried
99
Peptide accession
P19367
Residue number A
224
Residue number B
237
Peptide name
Hexokinase-1

Ligandability

Cysteine 224 of Hexokinase-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 237 of Hexokinase-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 Hexokinase-1 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 ?
35
PDB code
4fpb
Structure name
crystal structure of recombinant human hexokinase type i with 1,5- anhydroglucitol 6-phosphate
Structure deposition date
2012-06-21
Thiol separation (Å)
10
Half-sphere exposure sum ?
78
Minimum pKa ?
9
% buried
98
Peptide accession
P19367
Residue number A
224
Residue number B
256
Peptide name
Hexokinase-1

Ligandability

Cysteine 224 of Hexokinase-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 256 of Hexokinase-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 Hexokinase-1 between cysteines 672 and 685. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
1hkb
Structure name
crystal structure of recombinant human brain hexokinase type i complexed with glucose and glucose-6-phosphate
Structure deposition date
1997-12-01
Thiol separation (Å)
8
Half-sphere exposure sum ?
82
Minimum pKa ?
13
% buried
96
Peptide accession
P19367
Residue number A
672
Residue number B
685
Peptide name
Hexokinase-1

Ligandability

Cysteine 672 of Hexokinase-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 685 of Hexokinase-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 Hexokinase-1 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
4fpb
Structure name
crystal structure of recombinant human hexokinase type i with 1,5- anhydroglucitol 6-phosphate
Structure deposition date
2012-06-21
Thiol separation (Å)
10
Half-sphere exposure sum ?
87
Minimum pKa ?
8
% buried
92
Peptide accession
P19367
Residue number A
217
Residue number B
237
Peptide name
Hexokinase-1

Ligandability

Cysteine 217 of Hexokinase-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 237 of Hexokinase-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 Hexokinase-1 between cysteines 665 and 685. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
22
PDB code
4foi
Structure name
crystal structure of recombinant human hexokinase type i mutant d413n with glucose 1,6-bisphosphate
Structure deposition date
2012-06-20
Thiol separation (Å)
10
Half-sphere exposure sum ?
87
Minimum pKa ?
13
% buried
96
Peptide accession
P19367
Residue number A
665
Residue number B
685
Peptide name
Hexokinase-1

Ligandability

Cysteine 665 of Hexokinase-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 685 of Hexokinase-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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