ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Calcium/calmodulin-dependent protein kinase kinase 1

Intramolecular
Cysteine 345 and cysteine 351
Cysteine 243 and cysteine 345
A redox-regulated disulphide may form within Calcium/calmodulin-dependent protein kinase kinase 1 between cysteines 345 and 351.

Details

Redox score ?
75
PDB code
6cd6
Structure name
crystal structure of the human camkk1a in complex with gsk650394
Structure deposition date
2018-02-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
75
Minimum pKa ?
8
% buried
84
Peptide accession
Q8N5S9
Residue number A
345
Residue number B
351
Peptide name
Calcium/calmodulin-dependent protein kinase kinase 1

Ligandability

Cysteine 345 of Calcium/calmodulin-dependent protein kinase kinase 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 351 of Calcium/calmodulin-dependent protein kinase kinase 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 Calcium/calmodulin-dependent protein kinase kinase 1 between cysteines 243 and 345. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
6cd6
Structure name
crystal structure of the human camkk1a in complex with gsk650394
Structure deposition date
2018-02-08
Thiol separation (Å)
9
Half-sphere exposure sum ?
57
Minimum pKa ?
9
% buried
46
Peptide accession
Q8N5S9
Residue number A
243
Residue number B
345
Peptide name
Calcium/calmodulin-dependent protein kinase kinase 1

Ligandability

Cysteine 243 of Calcium/calmodulin-dependent protein kinase kinase 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 345 of Calcium/calmodulin-dependent protein kinase kinase 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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