ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Home
About
List

Focal adhesion kinase 1

Intramolecular
Cysteine 456 and cysteine 459
Cysteine 257 and cysteine 288
Cysteine 502 and cysteine 559
Cysteine 257 and cysteine 260
A redox-regulated disulphide may form within Focal adhesion kinase 1 between cysteines 456 and 459.

Details

Redox score ?
89
PDB code
3pxk
Structure name
focal adhesion kinase catalytic domain in complex with pyrrolo[2,3- d]thiazole
Structure deposition date
2010-12-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8IYN9
Residue number A
456
Residue number B
459
Peptide name
Focal adhesion kinase 1

Ligandability

Cysteine 456 of Focal adhesion kinase 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 459 of Focal adhesion kinase 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 Focal adhesion kinase 1 between cysteines 257 and 288.

Details

Redox score ?
77
PDB code
4ny0
Structure name
crystal structure of ferm domain of human focal adhesion kinase
Structure deposition date
2013-12-10
Thiol separation (Å)
4
Half-sphere exposure sum ?
56
Minimum pKa ?
8
% buried
33
Peptide accession
Q05397
Residue number A
257
Residue number B
288
Peptide name
Focal adhesion kinase 1

Ligandability

Cysteine 257 of Focal adhesion kinase 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 288 of Focal adhesion kinase 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 Focal adhesion kinase 1 between cysteines 502 and 559. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
3pxk
Structure name
focal adhesion kinase catalytic domain in complex with pyrrolo[2,3- d]thiazole
Structure deposition date
2010-12-10
Thiol separation (Å)
7
Half-sphere exposure sum ?
63
Minimum pKa ?
10
% buried
56
Peptide accession
Q8IYN9
Residue number A
502
Residue number B
559
Peptide name
Focal adhesion kinase 1

Ligandability

Cysteine 502 of Focal adhesion kinase 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 559 of Focal adhesion kinase 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 Focal adhesion kinase 1 between cysteines 257 and 260. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
4ny0
Structure name
crystal structure of ferm domain of human focal adhesion kinase
Structure deposition date
2013-12-10
Thiol separation (Å)
10
Half-sphere exposure sum ?
58
Minimum pKa ?
11
% buried
56
Peptide accession
Q05397
Residue number A
257
Residue number B
260
Peptide name
Focal adhesion kinase 1

Ligandability

Cysteine 257 of Focal adhesion kinase 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 260 of Focal adhesion kinase 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.

If this tool was useful for finding a disulphide, please cite: