ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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5'-AMP-activated protein kinase catalytic subunit alpha-1

Intermolecular
Cysteine 425 and cysteine 194 of 5'-AMP-activated protein kinase subunit beta-1
Intramolecular
Cysteine 308 and cysteine 313
Cysteine 313 and cysteine 321
Cysteine 308 and cysteine 321
A redox-regulated disulphide may form between cysteine 425 of 5'-AMP-activated protein kinase catalytic subunit alpha-1 and cysteine 194 of 5'-AMP-activated protein kinase subunit beta-1 (416 and 194 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
6c9f
Structure name
amp-activated protein kinase bound to pharmacological activator r734
Structure deposition date
2018-01-26
Thiol separation (Å)
9
Half-sphere exposure sum ?
51
Minimum pKa ?
9
% buried
28
Peptide A name
5'-AMP-activated protein kinase catalytic subunit alpha-1
Peptide B name
5'-AMP-activated protein kinase subunit beta-1
Peptide A accession
Q13131
Peptide B accession
Q9Y478
Peptide A residue number
425
Peptide B residue number
194

Ligandability

Cysteine 425 of 5'-AMP-activated protein kinase catalytic subunit alpha-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 194 of 5'-AMP-activated protein kinase subunit beta-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 5'-AMP-activated protein kinase catalytic subunit alpha-1 between cysteines 308 and 313 (297 and 302 respectively in this structure).

Details

Redox score ?
75
PDB code
4f2l
Structure name
structure of a regulatory domain of ampk
Structure deposition date
2012-05-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
41
Minimum pKa ?
10
% buried
0
Peptide accession
P54645
Residue number A
308
Residue number B
313
Peptide name
5'-AMP-activated protein kinase catalytic subunit alpha-1

Ligandability

Cysteine 308 of 5'-AMP-activated protein kinase catalytic subunit alpha-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 313 of 5'-AMP-activated protein kinase catalytic subunit alpha-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 5'-AMP-activated protein kinase catalytic subunit alpha-1 between cysteines 313 and 321 (302 and 310 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
4f2l
Structure name
structure of a regulatory domain of ampk
Structure deposition date
2012-05-08
Thiol separation (Å)
8
Half-sphere exposure sum ?
41
Minimum pKa ?
11
% buried
2
Peptide accession
P54645
Residue number A
313
Residue number B
321
Peptide name
5'-AMP-activated protein kinase catalytic subunit alpha-1

Ligandability

Cysteine 313 of 5'-AMP-activated protein kinase catalytic subunit alpha-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 321 of 5'-AMP-activated protein kinase catalytic subunit alpha-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 5'-AMP-activated protein kinase catalytic subunit alpha-1 between cysteines 308 and 321 (297 and 310 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
4f2l
Structure name
structure of a regulatory domain of ampk
Structure deposition date
2012-05-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
46
Minimum pKa ?
10
% buried
2
Peptide accession
P54645
Residue number A
308
Residue number B
321
Peptide name
5'-AMP-activated protein kinase catalytic subunit alpha-1

Ligandability

Cysteine 308 of 5'-AMP-activated protein kinase catalytic subunit alpha-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 321 of 5'-AMP-activated protein kinase catalytic subunit alpha-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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