ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Dual specificity mitogen-activated protein kinase kinase 4

Intramolecular
Cysteine 379 and cysteine 382
Cysteine 174 and cysteine 177
A redox-regulated disulphide may form within Dual specificity mitogen-activated protein kinase kinase 4 between cysteines 379 and 382.

Details

Redox score ?
61
PDB code
3aln
Structure name
crystal structure of human non-phosphorylated mkk4 kinase domain complexed with amp-pnp
Structure deposition date
2010-08-04
Thiol separation (Å)
6
Half-sphere exposure sum ?
50
Minimum pKa ?
10
% buried
42
Peptide accession
P45985
Residue number A
379
Residue number B
382
Peptide name
Dual specificity mitogen-activated protein kinase kinase 4

Ligandability

Cysteine 379 of Dual specificity mitogen-activated protein kinase kinase 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 Dual specificity mitogen-activated protein kinase kinase 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 Dual specificity mitogen-activated protein kinase kinase 4 between cysteines 174 and 177. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
3aln
Structure name
crystal structure of human non-phosphorylated mkk4 kinase domain complexed with amp-pnp
Structure deposition date
2010-08-04
Thiol separation (Å)
9
Half-sphere exposure sum ?
76
Minimum pKa ?
12
% buried
87
Peptide accession
P45985
Residue number A
174
Residue number B
177
Peptide name
Dual specificity mitogen-activated protein kinase kinase 4

Ligandability

Cysteine 174 of Dual specificity mitogen-activated protein kinase kinase 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 177 of Dual specificity mitogen-activated protein kinase kinase 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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