ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Cytoplasmic tyrosine-protein kinase BMX

Intramolecular
Cysteine 496 and cysteine 542
Cysteine 521 and cysteine 648
Cysteine 517 and cysteine 521
Cysteine 517 and cysteine 542
Cysteine 517 and cysteine 648
A redox-regulated disulphide may form within Cytoplasmic tyrosine-protein kinase BMX between cysteines 496 and 542. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
6i99
Structure name
bone marrow tyrosine kinase in chromosome x in complex with a newly designed covalent inhibitor js24
Structure deposition date
2018-11-22
Thiol separation (Å)
8
Half-sphere exposure sum ?
74
Minimum pKa ?
12
% buried
90
Peptide accession
P51813
Residue number A
496
Residue number B
542
Peptide name
Cytoplasmic tyrosine-protein kinase BMX

Ligandability

Cysteine 496 of Cytoplasmic tyrosine-protein kinase BMX

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 542 of Cytoplasmic tyrosine-protein kinase BMX

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 Cytoplasmic tyrosine-protein kinase BMX between cysteines 521 and 648. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
3sxs
Structure name
crystal structure of bmx non-receptor tyrosine kinase complexed with pp2
Structure deposition date
2011-07-15
Thiol separation (Å)
8
Half-sphere exposure sum ?
83
Minimum pKa ?
13
% buried
98
Peptide accession
P51813
Residue number A
521
Residue number B
648
Peptide name
Cytoplasmic tyrosine-protein kinase BMX

Ligandability

Cysteine 521 of Cytoplasmic tyrosine-protein kinase BMX

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 648 of Cytoplasmic tyrosine-protein kinase BMX

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 Cytoplasmic tyrosine-protein kinase BMX between cysteines 517 and 521. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
27
PDB code
6i99
Structure name
bone marrow tyrosine kinase in chromosome x in complex with a newly designed covalent inhibitor js24
Structure deposition date
2018-11-22
Thiol separation (Å)
9
Half-sphere exposure sum ?
93
Minimum pKa ?
13
% buried
97
Peptide accession
P51813
Residue number A
517
Residue number B
521
Peptide name
Cytoplasmic tyrosine-protein kinase BMX

Ligandability

Cysteine 517 of Cytoplasmic tyrosine-protein kinase BMX

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 521 of Cytoplasmic tyrosine-protein kinase BMX

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 Cytoplasmic tyrosine-protein kinase BMX between cysteines 517 and 542. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
24
PDB code
6i99
Structure name
bone marrow tyrosine kinase in chromosome x in complex with a newly designed covalent inhibitor js24
Structure deposition date
2018-11-22
Thiol separation (Å)
10
Half-sphere exposure sum ?
89
Minimum pKa ?
13
% buried
100
Peptide accession
P51813
Residue number A
517
Residue number B
542
Peptide name
Cytoplasmic tyrosine-protein kinase BMX

Ligandability

Cysteine 517 of Cytoplasmic tyrosine-protein kinase BMX

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 542 of Cytoplasmic tyrosine-protein kinase BMX

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 Cytoplasmic tyrosine-protein kinase BMX between cysteines 517 and 648. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
24
PDB code
6i99
Structure name
bone marrow tyrosine kinase in chromosome x in complex with a newly designed covalent inhibitor js24
Structure deposition date
2018-11-22
Thiol separation (Å)
10
Half-sphere exposure sum ?
85
Minimum pKa ?
13
% buried
100
Peptide accession
P51813
Residue number A
517
Residue number B
648
Peptide name
Cytoplasmic tyrosine-protein kinase BMX

Ligandability

Cysteine 517 of Cytoplasmic tyrosine-protein kinase BMX

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 648 of Cytoplasmic tyrosine-protein kinase BMX

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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