ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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BMP-2-inducible protein kinase

Intramolecular
Cysteine 160 and cysteine 163 L
Cysteine 160 and cysteine 323
Cysteine 133 and cysteine 197 L
Cysteine 163 and cysteine 323 L
A redox-regulated disulphide may form within BMP-2-inducible protein kinase between cysteines 160 and 163. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
4w9x
Structure name
crystal structure of bmp-2-inducible kinase in complex with baricitinib
Structure deposition date
2014-08-28
Thiol separation (Å)
6
Half-sphere exposure sum ?
84
Minimum pKa ?
12
% buried
86
Peptide accession
Q9NSY1
Residue number A
160
Residue number B
163
Peptide name
BMP-2-inducible protein kinase

Ligandability

Cysteine 160 of BMP-2-inducible protein kinase

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 163 of BMP-2-inducible protein kinase

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within BMP-2-inducible protein kinase between cysteines 160 and 323. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
5i3o
Structure name
crystal structure of bmp-2-inducible kinase in complex with an indazole inhibitor
Structure deposition date
2016-02-10
Thiol separation (Å)
8
Half-sphere exposure sum ?
65
Minimum pKa ?
10
% buried
56
Peptide accession
Q9NSY1
Residue number A
160
Residue number B
323
Peptide name
BMP-2-inducible protein kinase

Ligandability

Cysteine 160 of BMP-2-inducible protein kinase

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 323 of BMP-2-inducible protein kinase

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 BMP-2-inducible protein kinase between cysteines 133 and 197. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
4w9w
Structure name
crystal structure of bmp-2-inducible kinase in complex with small molecule azd-7762
Structure deposition date
2014-08-28
Thiol separation (Å)
8
Half-sphere exposure sum ?
81
Minimum pKa ?
10
% buried
84
Peptide accession
Q9NSY1
Residue number A
133
Residue number B
197
Peptide name
BMP-2-inducible protein kinase

Ligandability

Cysteine 133 of BMP-2-inducible protein kinase

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 197 of BMP-2-inducible protein kinase

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within BMP-2-inducible protein kinase between cysteines 163 and 323. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
4w9x
Structure name
crystal structure of bmp-2-inducible kinase in complex with baricitinib
Structure deposition date
2014-08-28
Thiol separation (Å)
8
Half-sphere exposure sum ?
68
Minimum pKa ?
10
% buried
68
Peptide accession
Q9NSY1
Residue number A
163
Residue number B
323
Peptide name
BMP-2-inducible protein kinase

Ligandability

Cysteine 163 of BMP-2-inducible protein kinase

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 323 of BMP-2-inducible protein kinase

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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