ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Toll-like receptor 4

Intramolecular
Cysteine 582 and cysteine 625
Cysteine 585 and cysteine 627
Cysteine 29 and cysteine 40
Cysteine 583 and cysteine 609
Cysteine 281 and cysteine 306
Cysteine 390 and cysteine 391
Cysteine 39 and cysteine 87
A redox-regulated disulphide may form within Toll-like receptor 4 between cysteines 582 and 625.

Details

Redox score ?
90
PDB code
3vq1
Structure name
crystal structure of mouse tlr4/md-2/lipid iva complex
Structure deposition date
2012-03-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9QUK6
Residue number A
582
Residue number B
625
Peptide name
Toll-like receptor 4

Ligandability

Cysteine 582 of Toll-like receptor 4

Cysteine 625 of Toll-like receptor 4

A redox-regulated disulphide may form within Toll-like receptor 4 between cysteines 585 and 627.

Details

Redox score ?
90
PDB code
4g8a
Structure name
crystal structure of human tlr4 polymorphic variant d299g and t399i in complex with md-2 and lps
Structure deposition date
2012-07-23
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
O00206
Residue number A
585
Residue number B
627
Peptide name
Toll-like receptor 4

Ligandability

Cysteine 585 of Toll-like receptor 4

Cysteine 627 of Toll-like receptor 4

A redox-regulated disulphide may form within Toll-like receptor 4 between cysteines 29 and 40.

Details

Redox score ?
85
PDB code
3fxi
Structure name
crystal structure of the human tlr4-human md-2-e
Structure deposition date
2009-01-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
O00206
Residue number A
29
Residue number B
40
Peptide name
Toll-like receptor 4

Ligandability

Cysteine 29 of Toll-like receptor 4

Cysteine 40 of Toll-like receptor 4

A redox-regulated disulphide may form within Toll-like receptor 4 between cysteines 583 and 609.

Details

Redox score ?
83
PDB code
3fxi
Structure name
crystal structure of the human tlr4-human md-2-e
Structure deposition date
2009-01-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
O00206
Residue number A
583
Residue number B
609
Peptide name
Toll-like receptor 4

Ligandability

Cysteine 583 of Toll-like receptor 4

Cysteine 609 of Toll-like receptor 4

A redox-regulated disulphide may form within Toll-like receptor 4 between cysteines 281 and 306.

Details

Redox score ?
83
PDB code
3fxi
Structure name
crystal structure of the human tlr4-human md-2-e
Structure deposition date
2009-01-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide accession
O00206
Residue number A
281
Residue number B
306
Peptide name
Toll-like receptor 4

Ligandability

Cysteine 281 of Toll-like receptor 4

Cysteine 306 of Toll-like receptor 4

A redox-regulated disulphide may form within Toll-like receptor 4 between cysteines 390 and 391.

Details

Redox score ?
80
PDB code
4g8a
Structure name
crystal structure of human tlr4 polymorphic variant d299g and t399i in complex with md-2 and lps
Structure deposition date
2012-07-23
Thiol separation (Å)
2
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
O00206
Residue number A
390
Residue number B
391
Peptide name
Toll-like receptor 4

Ligandability

Cysteine 390 of Toll-like receptor 4

Cysteine 391 of Toll-like receptor 4

A redox-regulated disulphide may form within Toll-like receptor 4 between cysteines 39 and 87. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
3vq2
Structure name
crystal structure of mouse tlr4/md-2/lps complex
Structure deposition date
2012-03-17
Thiol separation (Å)
10
Half-sphere exposure sum ?
72
Minimum pKa ?
12
% buried
nan
Peptide accession
Q9QUK6
Residue number A
39
Residue number B
87
Peptide name
Toll-like receptor 4

Ligandability

Cysteine 39 of Toll-like receptor 4

Cysteine 87 of Toll-like receptor 4

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