ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Proto-oncogene tyrosine-protein kinase ROS

Intramolecular
Cysteine 2060 and cysteine 2186
Cysteine 2067 and cysteine 2085
Cysteine 2067 and cysteine 2197
A redox-regulated disulphide may form within Proto-oncogene tyrosine-protein kinase ROS between cysteines 2060 and 2186. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
4uxl
Structure name
structure of human ros1 kinase domain in complex with pf-06463922
Structure deposition date
2014-08-25
Thiol separation (Å)
9
Half-sphere exposure sum ?
69
Minimum pKa ?
11
% buried
76
Peptide accession
P08922
Residue number A
2060
Residue number B
2186
Peptide name
Proto-oncogene tyrosine-protein kinase ROS

Ligandability

Cysteine 2060 of Proto-oncogene tyrosine-protein kinase ROS

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 2186 of Proto-oncogene tyrosine-protein kinase ROS

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 Proto-oncogene tyrosine-protein kinase ROS between cysteines 2067 and 2085. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
4uxl
Structure name
structure of human ros1 kinase domain in complex with pf-06463922
Structure deposition date
2014-08-25
Thiol separation (Å)
8
Half-sphere exposure sum ?
84
Minimum pKa ?
13
% buried
100
Peptide accession
P08922
Residue number A
2067
Residue number B
2085
Peptide name
Proto-oncogene tyrosine-protein kinase ROS

Ligandability

Cysteine 2067 of Proto-oncogene tyrosine-protein kinase ROS

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 2085 of Proto-oncogene tyrosine-protein kinase ROS

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 Proto-oncogene tyrosine-protein kinase ROS between cysteines 2067 and 2197. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
27
PDB code
4uxl
Structure name
structure of human ros1 kinase domain in complex with pf-06463922
Structure deposition date
2014-08-25
Thiol separation (Å)
10
Half-sphere exposure sum ?
81
Minimum pKa ?
12
% buried
100
Peptide accession
P08922
Residue number A
2067
Residue number B
2197
Peptide name
Proto-oncogene tyrosine-protein kinase ROS

Ligandability

Cysteine 2067 of Proto-oncogene tyrosine-protein kinase ROS

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 2197 of Proto-oncogene tyrosine-protein kinase ROS

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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