ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Toll/interleukin-1 receptor domain-containing adapter protein

Intramolecular
Cysteine 142 and cysteine 174
Cysteine 89 and cysteine 134
Cysteine 91 and cysteine 134
Cysteine 89 and cysteine 91
Cysteine 89 and cysteine 116
Cysteine 91 and cysteine 157
Cysteine 134 and cysteine 157
Cysteine 89 and cysteine 142
Cysteine 89 and cysteine 174
Cysteine 91 and cysteine 116
More...
Cysteine 116 and cysteine 142
Cysteine 116 and cysteine 174
A redox-regulated disulphide may form within Toll/interleukin-1 receptor domain-containing adapter protein between cysteines 142 and 174.

Details

Redox score ?
89
PDB code
4fz5
Structure name
crystal structure of human tirap tir-domain
Structure deposition date
2012-07-06
Thiol separation (Å)
3
Half-sphere exposure sum ?
nan
Minimum pKa ?
7
% buried
56
Peptide accession
P58753
Residue number A
142
Residue number B
174
Peptide name
Toll/interleukin-1 receptor domain-containing adapter protein

Ligandability

Cysteine 142 of Toll/interleukin-1 receptor domain-containing adapter protein

Cysteine 174 of Toll/interleukin-1 receptor domain-containing adapter protein

A redox-regulated disulphide may form within Toll/interleukin-1 receptor domain-containing adapter protein between cysteines 89 and 134.

Details

Redox score ?
83
PDB code
4fz5
Structure name
crystal structure of human tirap tir-domain
Structure deposition date
2012-07-06
Thiol separation (Å)
3
Half-sphere exposure sum ?
68
Minimum pKa ?
6
% buried
56
Peptide accession
P58753
Residue number A
89
Residue number B
134
Peptide name
Toll/interleukin-1 receptor domain-containing adapter protein

Ligandability

Cysteine 89 of Toll/interleukin-1 receptor domain-containing adapter protein

Cysteine 134 of Toll/interleukin-1 receptor domain-containing adapter protein

A redox-regulated disulphide may form within Toll/interleukin-1 receptor domain-containing adapter protein between cysteines 91 and 134.

Details

Redox score ?
73
PDB code
3ub3
Structure name
d96n variant of tir domain of mal/tirap
Structure deposition date
2011-10-23
Thiol separation (Å)
3
Half-sphere exposure sum ?
73
Minimum pKa ?
11
% buried
nan
Peptide accession
P58753
Residue number A
91
Residue number B
134
Peptide name
Toll/interleukin-1 receptor domain-containing adapter protein

Ligandability

Cysteine 91 of Toll/interleukin-1 receptor domain-containing adapter protein

Cysteine 134 of Toll/interleukin-1 receptor domain-containing adapter protein

A redox-regulated disulphide may form within Toll/interleukin-1 receptor domain-containing adapter protein between cysteines 89 and 91. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
3ub3
Structure name
d96n variant of tir domain of mal/tirap
Structure deposition date
2011-10-23
Thiol separation (Å)
5
Half-sphere exposure sum ?
82
Minimum pKa ?
11
% buried
nan
Peptide accession
P58753
Residue number A
89
Residue number B
91
Peptide name
Toll/interleukin-1 receptor domain-containing adapter protein

Ligandability

Cysteine 89 of Toll/interleukin-1 receptor domain-containing adapter protein

Cysteine 91 of Toll/interleukin-1 receptor domain-containing adapter protein

A redox-regulated disulphide may form within Toll/interleukin-1 receptor domain-containing adapter protein between cysteines 89 and 116. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
5uzb
Structure name
cryo-em structure of the mal tir domain filament
Structure deposition date
2017-02-25
Thiol separation (Å)
7
Half-sphere exposure sum ?
87
Minimum pKa ?
11
% buried
100
Peptide accession
P58753
Residue number A
89
Residue number B
116
Peptide name
Toll/interleukin-1 receptor domain-containing adapter protein

Ligandability

Cysteine 89 of Toll/interleukin-1 receptor domain-containing adapter protein

Cysteine 116 of Toll/interleukin-1 receptor domain-containing adapter protein

A redox-regulated disulphide may form within Toll/interleukin-1 receptor domain-containing adapter protein between cysteines 91 and 157. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
3ub3
Structure name
d96n variant of tir domain of mal/tirap
Structure deposition date
2011-10-23
Thiol separation (Å)
9
Half-sphere exposure sum ?
67
Minimum pKa ?
11
% buried
nan
Peptide accession
P58753
Residue number A
91
Residue number B
157
Peptide name
Toll/interleukin-1 receptor domain-containing adapter protein

Ligandability

Cysteine 91 of Toll/interleukin-1 receptor domain-containing adapter protein

Cysteine 157 of Toll/interleukin-1 receptor domain-containing adapter protein

A redox-regulated disulphide may form within Toll/interleukin-1 receptor domain-containing adapter protein between cysteines 134 and 157. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
4fz5
Structure name
crystal structure of human tirap tir-domain
Structure deposition date
2012-07-06
Thiol separation (Å)
10
Half-sphere exposure sum ?
58
Minimum pKa ?
11
% buried
54
Peptide accession
P58753
Residue number A
134
Residue number B
157
Peptide name
Toll/interleukin-1 receptor domain-containing adapter protein

Ligandability

Cysteine 134 of Toll/interleukin-1 receptor domain-containing adapter protein

Cysteine 157 of Toll/interleukin-1 receptor domain-containing adapter protein

A redox-regulated disulphide may form within Toll/interleukin-1 receptor domain-containing adapter protein between cysteines 89 and 142. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
4fz5
Structure name
crystal structure of human tirap tir-domain
Structure deposition date
2012-07-06
Thiol separation (Å)
8
Half-sphere exposure sum ?
76
Minimum pKa ?
12
% buried
nan
Peptide accession
P58753
Residue number A
89
Residue number B
142
Peptide name
Toll/interleukin-1 receptor domain-containing adapter protein

Ligandability

Cysteine 89 of Toll/interleukin-1 receptor domain-containing adapter protein

Cysteine 142 of Toll/interleukin-1 receptor domain-containing adapter protein

A redox-regulated disulphide may form within Toll/interleukin-1 receptor domain-containing adapter protein between cysteines 89 and 174. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
4lqd
Structure name
the crystal structures of the brucella protein tcpb and the tlr adaptor protein tirap show structural differences in microbial tir mimicry
Structure deposition date
2013-07-17
Thiol separation (Å)
10
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
P58753
Residue number A
89
Residue number B
174
Peptide name
Toll/interleukin-1 receptor domain-containing adapter protein

Ligandability

Cysteine 89 of Toll/interleukin-1 receptor domain-containing adapter protein

Cysteine 174 of Toll/interleukin-1 receptor domain-containing adapter protein

A redox-regulated disulphide may form within Toll/interleukin-1 receptor domain-containing adapter protein between cysteines 91 and 116. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
5uzb
Structure name
cryo-em structure of the mal tir domain filament
Structure deposition date
2017-02-25
Thiol separation (Å)
9
Half-sphere exposure sum ?
89
Minimum pKa ?
13
% buried
100
Peptide accession
P58753
Residue number A
91
Residue number B
116
Peptide name
Toll/interleukin-1 receptor domain-containing adapter protein

Ligandability

Cysteine 91 of Toll/interleukin-1 receptor domain-containing adapter protein

Cysteine 116 of Toll/interleukin-1 receptor domain-containing adapter protein

A redox-regulated disulphide may form within Toll/interleukin-1 receptor domain-containing adapter protein between cysteines 116 and 142. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
27
PDB code
5uzb
Structure name
cryo-em structure of the mal tir domain filament
Structure deposition date
2017-02-25
Thiol separation (Å)
9
Half-sphere exposure sum ?
89
Minimum pKa ?
14
% buried
nan
Peptide accession
P58753
Residue number A
116
Residue number B
142
Peptide name
Toll/interleukin-1 receptor domain-containing adapter protein

Ligandability

Cysteine 116 of Toll/interleukin-1 receptor domain-containing adapter protein

Cysteine 142 of Toll/interleukin-1 receptor domain-containing adapter protein

A redox-regulated disulphide may form within Toll/interleukin-1 receptor domain-containing adapter protein between cysteines 116 and 174. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
27
PDB code
5uzb
Structure name
cryo-em structure of the mal tir domain filament
Structure deposition date
2017-02-25
Thiol separation (Å)
10
Half-sphere exposure sum ?
86
Minimum pKa ?
14
% buried
nan
Peptide accession
P58753
Residue number A
116
Residue number B
174
Peptide name
Toll/interleukin-1 receptor domain-containing adapter protein

Ligandability

Cysteine 116 of Toll/interleukin-1 receptor domain-containing adapter protein

Cysteine 174 of Toll/interleukin-1 receptor domain-containing adapter protein

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