ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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AP2-associated protein kinase 1

Intramolecular
Cysteine 156 and cysteine 319
Cysteine 156 and cysteine 159
Cysteine 159 and cysteine 319
Cysteine 129 and cysteine 193
A redox-regulated disulphide may form within AP2-associated protein kinase 1 between cysteines 156 and 319. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
4wsq
Structure name
crystal structure of adaptor protein 2 associated kinase (aak1) in complex with small molecule inhibitor
Structure deposition date
2014-10-28
Thiol separation (Å)
8
Half-sphere exposure sum ?
65
Minimum pKa ?
10
% buried
58
Peptide accession
Q2M2I8
Residue number A
156
Residue number B
319
Peptide name
AP2-associated protein kinase 1

Ligandability

Cysteine 156 of AP2-associated protein 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 319 of AP2-associated protein 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 AP2-associated protein kinase 1 between cysteines 156 and 159. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
4wsq
Structure name
crystal structure of adaptor protein 2 associated kinase (aak1) in complex with small molecule inhibitor
Structure deposition date
2014-10-28
Thiol separation (Å)
6
Half-sphere exposure sum ?
85
Minimum pKa ?
12
% buried
93
Peptide accession
Q2M2I8
Residue number A
156
Residue number B
159
Peptide name
AP2-associated protein kinase 1

Ligandability

Cysteine 156 of AP2-associated protein 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 159 of AP2-associated protein 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 AP2-associated protein kinase 1 between cysteines 159 and 319. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
5l4q
Structure name
crystal structure of adaptor protein 2 associated kinase 1 (aak1) in complex with lkb1 (aak1 dual inhibitor)
Structure deposition date
2016-05-26
Thiol separation (Å)
8
Half-sphere exposure sum ?
71
Minimum pKa ?
10
% buried
73
Peptide accession
Q2M2I8
Residue number A
159
Residue number B
319
Peptide name
AP2-associated protein kinase 1

Ligandability

Cysteine 159 of AP2-associated protein 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 319 of AP2-associated protein 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 AP2-associated protein kinase 1 between cysteines 129 and 193. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
4wsq
Structure name
crystal structure of adaptor protein 2 associated kinase (aak1) in complex with small molecule inhibitor
Structure deposition date
2014-10-28
Thiol separation (Å)
7
Half-sphere exposure sum ?
81
Minimum pKa ?
13
% buried
96
Peptide accession
Q2M2I8
Residue number A
129
Residue number B
193
Peptide name
AP2-associated protein kinase 1

Ligandability

Cysteine 129 of AP2-associated protein 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 193 of AP2-associated protein 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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