ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Toll-like receptor 2

Intermolecular
Cysteine 640 and cysteine 750
Cysteine 750 and cysteine 673
Intramolecular
Cysteine 432 and cysteine 454
Cysteine 30 and cysteine 36
Cysteine 537 and cysteine 564
Cysteine 353 and cysteine 382
Cysteine 36 and cysteine 75
Cysteine 640 and cysteine 673
A redox-regulated disulphide may form between two units of Toll-like receptor 2 at cysteines 640 and 750.

Details

Redox score ?
81
PDB code
1o77
Structure name
crystal structure of the c713s mutant of the tir domain of human tlr2
Structure deposition date
2002-10-24
Thiol separation (Å)
2
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide A name
Toll-like receptor 2
Peptide B name
Toll-like receptor 2
Peptide A accession
O60603
Peptide B accession
O60603
Peptide A residue number
640
Peptide B residue number
750

Ligandability

Cysteine 640 of Toll-like receptor 2

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 750 of Toll-like receptor 2

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 between two units of Toll-like receptor 2 at cysteines 750 and 673. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
1o77
Structure name
crystal structure of the c713s mutant of the tir domain of human tlr2
Structure deposition date
2002-10-24
Thiol separation (Å)
8
Half-sphere exposure sum ?
72
Minimum pKa ?
14
% buried
nan
Peptide A name
Toll-like receptor 2
Peptide B name
Toll-like receptor 2
Peptide A accession
O60603
Peptide B accession
O60603
Peptide A residue number
750
Peptide B residue number
673

Ligandability

Cysteine 750 of Toll-like receptor 2

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 673 of Toll-like receptor 2

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 Toll-like receptor 2 between cysteines 432 and 454.

Details

Redox score ?
87
PDB code
5d3i
Structure name
crystal structure of the ssl3-tlr2 complex
Structure deposition date
2015-08-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9QUN7
Residue number A
432
Residue number B
454
Peptide name
Toll-like receptor 2

Ligandability

Cysteine 432 of Toll-like receptor 2

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 454 of Toll-like receptor 2

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 Toll-like receptor 2 between cysteines 30 and 36.

Details

Redox score ?
87
PDB code
5d3i
Structure name
crystal structure of the ssl3-tlr2 complex
Structure deposition date
2015-08-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
48
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9QUN7
Residue number A
30
Residue number B
36
Peptide name
Toll-like receptor 2

Ligandability

Cysteine 30 of Toll-like receptor 2

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 36 of Toll-like receptor 2

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 Toll-like receptor 2 between cysteines 537 and 564.

Details

Redox score ?
85
PDB code
5d3i
Structure name
crystal structure of the ssl3-tlr2 complex
Structure deposition date
2015-08-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9QUN7
Residue number A
537
Residue number B
564
Peptide name
Toll-like receptor 2

Ligandability

Cysteine 537 of Toll-like receptor 2

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 564 of Toll-like receptor 2

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 Toll-like receptor 2 between cysteines 353 and 382.

Details

Redox score ?
83
PDB code
5d3i
Structure name
crystal structure of the ssl3-tlr2 complex
Structure deposition date
2015-08-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9QUN7
Residue number A
353
Residue number B
382
Peptide name
Toll-like receptor 2

Ligandability

Cysteine 353 of Toll-like receptor 2

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 382 of Toll-like receptor 2

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 Toll-like receptor 2 between cysteines 36 and 75. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
5d3i
Structure name
crystal structure of the ssl3-tlr2 complex
Structure deposition date
2015-08-06
Thiol separation (Å)
10
Half-sphere exposure sum ?
62
Minimum pKa ?
11
% buried
nan
Peptide accession
Q9QUN7
Residue number A
36
Residue number B
75
Peptide name
Toll-like receptor 2

Ligandability

Cysteine 36 of Toll-like receptor 2

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 75 of Toll-like receptor 2

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 Toll-like receptor 2 between cysteines 640 and 673. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
1o77
Structure name
crystal structure of the c713s mutant of the tir domain of human tlr2
Structure deposition date
2002-10-24
Thiol separation (Å)
8
Half-sphere exposure sum ?
68
Minimum pKa ?
13
% buried
nan
Peptide accession
O60603
Residue number A
640
Residue number B
673
Peptide name
Toll-like receptor 2

Ligandability

Cysteine 640 of Toll-like receptor 2

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 673 of Toll-like receptor 2

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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