ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Kalirin

Intramolecular
Cysteine 1404 and cysteine 1405
Cysteine 1659 and cysteine 1680
A redox-regulated disulphide may form within Kalirin between cysteines 1404 and 1405 (1383 and 1384 respectively in this structure).

Details

Redox score ?
74
PDB code
5o33
Structure name
a structure of the gef kalirin dh1 domain in complex with the small gtpase rac1
Structure deposition date
2017-05-23
Thiol separation (Å)
5
Half-sphere exposure sum ?
49
Minimum pKa ?
10
% buried
20
Peptide accession
P97924
Residue number A
1404
Residue number B
1405
Peptide name
Kalirin

Ligandability

Cysteine 1404 of Kalirin

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 1405 of Kalirin

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 Kalirin between cysteines 1659 and 1680 (55 and 76 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
1u3o
Structure name
solution structure of rat kalirin n-terminal sh3 domain
Structure deposition date
2004-07-22
Thiol separation (Å)
8
Half-sphere exposure sum ?
67
Minimum pKa ?
9
% buried
19
Peptide accession
P97924
Residue number A
1659
Residue number B
1680
Peptide name
Kalirin

Ligandability

Cysteine 1659 of Kalirin

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 1680 of Kalirin

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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