ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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TGF-beta-activated kinase 1 and MAP3K7-binding protein 1

Intramolecular
Cysteine 235 and cysteine 191
Cysteine 191 and cysteine 101 L
Cysteine 235 and cysteine 101 L
A redox-regulated disulphide may form within TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 between cysteines 235 and 191 (134 and 137 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
4gs6
Structure name
irreversible inhibition of tak1 kinase by 5z-7-oxozeaenol
Structure deposition date
2012-08-27
Thiol separation (Å)
7
Half-sphere exposure sum ?
94
Minimum pKa ?
13
% buried
100
Peptide accession
Q15750
Residue number A
235
Residue number B
191
Peptide name
TGF-beta-activated kinase 1 and MAP3K7-binding protein 1

Ligandability

Cysteine 235 of TGF-beta-activated kinase 1 and MAP3K7-binding protein 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 191 of TGF-beta-activated kinase 1 and MAP3K7-binding protein 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.

Uncertain whether structure cysteine 137 has been assigned to correct residue.
A redox-regulated disulphide may form within TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 between cysteines 191 and 101 (51 and 101 respectively in this structure).

Details

Redox score ?
nan
PDB code
5jh6
Structure name
crystal structure of tl10-92 bound to tak1-tab1
Structure deposition date
2016-04-20
Thiol separation (Å)
8
Half-sphere exposure sum ?
62
Minimum pKa ?
10
% buried
38
Peptide accession
Q15750
Residue number A
191
Residue number B
101
Peptide name
TGF-beta-activated kinase 1 and MAP3K7-binding protein 1

Ligandability

Cysteine 191 of TGF-beta-activated kinase 1 and MAP3K7-binding protein 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 101 of TGF-beta-activated kinase 1 and MAP3K7-binding protein 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.

Ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Uncertain whether structure cysteine 51 has been assigned to correct residue.
Cysteine 101 in protein B could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 between cysteines 235 and 101 (51 and 101 respectively in this structure).

Details

Redox score ?
nan
PDB code
5jk3
Structure name
crystal structure of tl11-128 bound to tak1-tab1
Structure deposition date
2016-04-25
Thiol separation (Å)
9
Half-sphere exposure sum ?
48
Minimum pKa ?
9
% buried
14
Peptide accession
Q15750
Residue number A
235
Residue number B
101
Peptide name
TGF-beta-activated kinase 1 and MAP3K7-binding protein 1

Ligandability

Cysteine 235 of TGF-beta-activated kinase 1 and MAP3K7-binding protein 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 101 of TGF-beta-activated kinase 1 and MAP3K7-binding protein 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.

Ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Uncertain whether structure cysteine 51 has been assigned to correct residue.
Cysteine 101 in protein B could not be asigned to a Uniprot residue.
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