ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Proto-oncogene tyrosine-protein kinase Src

Intramolecular
Cysteine 486 and cysteine 490
Cysteine 486 and cysteine 499
Cysteine 499 and cysteine 501
Cysteine 490 and cysteine 499
A redox-regulated disulphide may form within Proto-oncogene tyrosine-protein kinase Src between cysteines 486 and 490.

Details

Redox score ?
69
PDB code
6e6e
Structure name
dgy-06-116, a novel and selective covalent inhibitor of src kinase
Structure deposition date
2018-07-24
Thiol separation (Å)
4
Half-sphere exposure sum ?
57
Minimum pKa ?
11
% buried
54
Peptide accession
P12931
Residue number A
486
Residue number B
490
Peptide name
Proto-oncogene tyrosine-protein kinase Src

Ligandability

Cysteine 486 of Proto-oncogene tyrosine-protein kinase Src

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 490 of Proto-oncogene tyrosine-protein kinase Src

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 Src between cysteines 486 and 499 (483 and 496 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
4mxz
Structure name
src m314l t338m double mutant bound to kinase inhibitor bosutinib
Structure deposition date
2013-09-26
Thiol separation (Å)
9
Half-sphere exposure sum ?
53
Minimum pKa ?
10
% buried
32
Peptide accession
P12931
Residue number A
486
Residue number B
499
Peptide name
Proto-oncogene tyrosine-protein kinase Src

Ligandability

Cysteine 486 of Proto-oncogene tyrosine-protein kinase Src

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 499 of Proto-oncogene tyrosine-protein kinase Src

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 Src between cysteines 499 and 501 (496 and 498 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
2bdj
Structure name
src kinase in complex with inhibitor ap23464
Structure deposition date
2005-10-20
Thiol separation (Å)
9
Half-sphere exposure sum ?
69
Minimum pKa ?
10
% buried
67
Peptide accession
P12931
Residue number A
499
Residue number B
501
Peptide name
Proto-oncogene tyrosine-protein kinase Src

Ligandability

Cysteine 499 of Proto-oncogene tyrosine-protein kinase Src

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 501 of Proto-oncogene tyrosine-protein kinase Src

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 Src between cysteines 490 and 499 (487 and 496 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
4mxo
Structure name
human src kinase bound to kinase inhibitor bosutinib
Structure deposition date
2013-09-26
Thiol separation (Å)
10
Half-sphere exposure sum ?
62
Minimum pKa ?
11
% buried
58
Peptide accession
P12931
Residue number A
490
Residue number B
499
Peptide name
Proto-oncogene tyrosine-protein kinase Src

Ligandability

Cysteine 490 of Proto-oncogene tyrosine-protein kinase Src

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 499 of Proto-oncogene tyrosine-protein kinase Src

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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