ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Hexokinase-4

Intramolecular
Cysteine 233 and cysteine 252
Cysteine 213 and cysteine 220
Cysteine 230 and cysteine 382
Cysteine 220 and cysteine 233
Cysteine 457 and cysteine 461
Cysteine 213 and cysteine 233
Cysteine 220 and cysteine 252
A redox-regulated disulphide may form within Hexokinase-4 between cysteines 233 and 252.

Details

Redox score ?
69
PDB code
4isg
Structure name
human glucokinase in complex with novel activator (2s)-3-cyclohexyl-2- [4-(methylsulfonyl)-2-oxopiperazin-1-yl]-n-(1,3-thiazol-2-yl) propanamide
Structure deposition date
2013-01-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
85
Minimum pKa ?
9
% buried
100
Peptide accession
P35557
Residue number A
233
Residue number B
252
Peptide name
Hexokinase-4

Ligandability

Cysteine 233 of Hexokinase-4

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 252 of Hexokinase-4

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-4 between cysteines 213 and 220.

Details

Redox score ?
69
PDB code
1v4t
Structure name
crystal structure of human glucokinase
Structure deposition date
2003-11-19
Thiol separation (Å)
4
Half-sphere exposure sum ?
75
Minimum pKa ?
8
% buried
88
Peptide accession
P35557
Residue number A
213
Residue number B
220
Peptide name
Hexokinase-4

Ligandability

Cysteine 213 of Hexokinase-4

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 220 of Hexokinase-4

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-4 between cysteines 230 and 382.

Details

Redox score ?
64
PDB code
4mlh
Structure name
human glucokinase in complex with a novel amino thiazole allosteric activator
Structure deposition date
2013-09-06
Thiol separation (Å)
4
Half-sphere exposure sum ?
99
Minimum pKa ?
9
% buried
100
Peptide accession
P35557
Residue number A
230
Residue number B
382
Peptide name
Hexokinase-4

Ligandability

Cysteine 230 of Hexokinase-4

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 382 of Hexokinase-4

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-4 between cysteines 220 and 233. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
3goi
Structure name
human glucokinase in complex with a synthetic activator
Structure deposition date
2009-03-19
Thiol separation (Å)
8
Half-sphere exposure sum ?
82
Minimum pKa ?
8
% buried
100
Peptide accession
A4D2J2
Residue number A
220
Residue number B
233
Peptide name
Hexokinase-4

Ligandability

Cysteine 220 of Hexokinase-4

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 233 of Hexokinase-4

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-4 between cysteines 457 and 461. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
5v4x
Structure name
human glucokinase in complex with novel pyrazole activator
Structure deposition date
2017-03-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
68
Minimum pKa ?
10
% buried
50
Peptide accession
P35557
Residue number A
457
Residue number B
461
Peptide name
Hexokinase-4

Ligandability

Cysteine 457 of Hexokinase-4

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 461 of Hexokinase-4

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-4 between cysteines 213 and 233. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
1v4t
Structure name
crystal structure of human glucokinase
Structure deposition date
2003-11-19
Thiol separation (Å)
10
Half-sphere exposure sum ?
85
Minimum pKa ?
8
% buried
90
Peptide accession
P35557
Residue number A
213
Residue number B
233
Peptide name
Hexokinase-4

Ligandability

Cysteine 213 of Hexokinase-4

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 233 of Hexokinase-4

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-4 between cysteines 220 and 252. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
21
PDB code
3goi
Structure name
human glucokinase in complex with a synthetic activator
Structure deposition date
2009-03-19
Thiol separation (Å)
10
Half-sphere exposure sum ?
73
Minimum pKa ?
17
% buried
100
Peptide accession
A4D2J2
Residue number A
220
Residue number B
252
Peptide name
Hexokinase-4

Ligandability

Cysteine 220 of Hexokinase-4

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 252 of Hexokinase-4

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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