ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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5'-AMP-activated protein kinase catalytic subunit alpha-2

Intramolecular
Cysteine 297 and cysteine 302
Cysteine 130 and cysteine 200
A redox-regulated disulphide may form within 5'-AMP-activated protein kinase catalytic subunit alpha-2 between cysteines 297 and 302.

Details

Redox score ?
71
PDB code
5iso
Structure name
structure of full length human ampk (non-phosphorylated at t-loop) in complex with a small molecule activator, a benzimidazole derivative (991)
Structure deposition date
2016-03-15
Thiol separation (Å)
5
Half-sphere exposure sum ?
42
Minimum pKa ?
10
% buried
1
Peptide accession
P54646
Residue number A
297
Residue number B
302
Peptide name
5'-AMP-activated protein kinase catalytic subunit alpha-2

Ligandability

Cysteine 297 of 5'-AMP-activated protein kinase catalytic subunit alpha-2

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 302 of 5'-AMP-activated protein kinase catalytic subunit alpha-2

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-2 between cysteines 130 and 200. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
25
PDB code
6b1u
Structure name
structure of full-length human ampk (a2b1g1) in complex with a small molecule activator sc4
Structure deposition date
2017-09-19
Thiol separation (Å)
10
Half-sphere exposure sum ?
80
Minimum pKa ?
13
% buried
100
Peptide accession
P54646
Residue number A
130
Residue number B
200
Peptide name
5'-AMP-activated protein kinase catalytic subunit alpha-2

Ligandability

Cysteine 130 of 5'-AMP-activated protein kinase catalytic subunit alpha-2

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 200 of 5'-AMP-activated protein kinase catalytic subunit alpha-2

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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