ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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MAP kinase-activated protein kinase 3

Intramolecular
Cysteine 61 and cysteine 70
Cysteine 70 and cysteine 120
Cysteine 61 and cysteine 120
A redox-regulated disulphide may form within MAP kinase-activated protein kinase 3 between cysteines 61 and 70.

Details

Redox score ?
70
PDB code
3fhr
Structure name
high resolution crystal structure of mitogen-activated protein kinase- activated protein kinase 3 (mk3)-inhibitor complex
Structure deposition date
2008-12-10
Thiol separation (Å)
5
Half-sphere exposure sum ?
67
Minimum pKa ?
7
% buried
56
Peptide accession
Q16644
Residue number A
61
Residue number B
70
Peptide name
MAP kinase-activated protein kinase 3

Ligandability

Cysteine 61 of MAP kinase-activated protein kinase 3

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 70 of MAP kinase-activated protein kinase 3

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 MAP kinase-activated protein kinase 3 between cysteines 70 and 120. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
57
PDB code
3fhr
Structure name
high resolution crystal structure of mitogen-activated protein kinase- activated protein kinase 3 (mk3)-inhibitor complex
Structure deposition date
2008-12-10
Thiol separation (Å)
7
Half-sphere exposure sum ?
71
Minimum pKa ?
7
% buried
52
Peptide accession
Q16644
Residue number A
70
Residue number B
120
Peptide name
MAP kinase-activated protein kinase 3

Ligandability

Cysteine 70 of MAP kinase-activated protein kinase 3

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 120 of MAP kinase-activated protein kinase 3

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 MAP kinase-activated protein kinase 3 between cysteines 61 and 120. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
3r1n
Structure name
mk3 kinase bound to compound 5b
Structure deposition date
2011-03-11
Thiol separation (Å)
8
Half-sphere exposure sum ?
66
Minimum pKa ?
11
% buried
60
Peptide accession
Q16644
Residue number A
61
Residue number B
120
Peptide name
MAP kinase-activated protein kinase 3

Ligandability

Cysteine 61 of MAP kinase-activated protein kinase 3

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 120 of MAP kinase-activated protein kinase 3

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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