ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Toll-like receptor 9

Intramolecular
Cysteine 258 and cysteine 265
Cysteine 766 and cysteine 809
Cysteine 470 and cysteine 500
Cysteine 471 and cysteine 501
Cysteine 255 and cysteine 268
Cysteine 34 and cysteine 44
Cysteine 178 and cysteine 184
Cysteine 764 and cysteine 790
Cysteine 469 and cysteine 498
Cysteine 98 and cysteine 110
More...
Cysteine 258 and cysteine 268
Cysteine 265 and cysteine 268
Cysteine 255 and cysteine 258
Cysteine 255 and cysteine 265
A redox-regulated disulphide may form within Toll-like receptor 9 between cysteines 258 and 265.

Details

Redox score ?
88
PDB code
3wph
Structure name
crystal structure of mouse tlr9 in complex with inhibitory dna4084 (form 2)
Structure deposition date
2014-01-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
45
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9EQU3
Residue number A
258
Residue number B
265
Peptide name
Toll-like receptor 9

Ligandability

Cysteine 258 of Toll-like receptor 9

Cysteine 265 of Toll-like receptor 9

A redox-regulated disulphide may form within Toll-like receptor 9 between cysteines 766 and 809.

Details

Redox score ?
85
PDB code
3wpb
Structure name
crystal structure of horse tlr9 (unliganded form)
Structure deposition date
2014-01-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
40
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q2EEY0
Residue number A
766
Residue number B
809
Peptide name
Toll-like receptor 9

Ligandability

Cysteine 766 of Toll-like receptor 9

Cysteine 809 of Toll-like receptor 9

A redox-regulated disulphide may form within Toll-like receptor 9 between cysteines 470 and 500.

Details

Redox score ?
85
PDB code
3wpd
Structure name
crystal structure of horse tlr9 in complex with inhibitory dna4084
Structure deposition date
2014-01-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q2EEY0
Residue number A
470
Residue number B
500
Peptide name
Toll-like receptor 9

Ligandability

Cysteine 470 of Toll-like receptor 9

Cysteine 500 of Toll-like receptor 9

A redox-regulated disulphide may form within Toll-like receptor 9 between cysteines 471 and 501.

Details

Redox score ?
85
PDB code
3wpi
Structure name
crystal structure of mouse tlr9 in complex with inhibitory dna_super
Structure deposition date
2014-01-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9EQU3
Residue number A
471
Residue number B
501
Peptide name
Toll-like receptor 9

Ligandability

Cysteine 471 of Toll-like receptor 9

Cysteine 501 of Toll-like receptor 9

A redox-regulated disulphide may form within Toll-like receptor 9 between cysteines 255 and 268.

Details

Redox score ?
85
PDB code
3wpc
Structure name
crystal structure of horse tlr9 in complex with agonistic dna1668_12mer
Structure deposition date
2014-01-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q2EEY0
Residue number A
255
Residue number B
268
Peptide name
Toll-like receptor 9

Ligandability

Cysteine 255 of Toll-like receptor 9

Cysteine 268 of Toll-like receptor 9

A redox-regulated disulphide may form within Toll-like receptor 9 between cysteines 34 and 44.

Details

Redox score ?
85
PDB code
3wpe
Structure name
crystal structure of bovine tlr9 in complex with agonistic dna1668_12mer
Structure deposition date
2014-01-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q5I2M5
Residue number A
34
Residue number B
44
Peptide name
Toll-like receptor 9

Ligandability

Cysteine 34 of Toll-like receptor 9

Cysteine 44 of Toll-like receptor 9

A redox-regulated disulphide may form within Toll-like receptor 9 between cysteines 178 and 184.

Details

Redox score ?
84
PDB code
3wpg
Structure name
crystal structure of mouse tlr9 in complex with inhibitory dna4084 (form 1)
Structure deposition date
2014-01-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9EQU3
Residue number A
178
Residue number B
184
Peptide name
Toll-like receptor 9

Ligandability

Cysteine 178 of Toll-like receptor 9

Cysteine 184 of Toll-like receptor 9

A redox-regulated disulphide may form within Toll-like receptor 9 between cysteines 764 and 790.

Details

Redox score ?
84
PDB code
3wpb
Structure name
crystal structure of horse tlr9 (unliganded form)
Structure deposition date
2014-01-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q2EEY0
Residue number A
764
Residue number B
790
Peptide name
Toll-like receptor 9

Ligandability

Cysteine 764 of Toll-like receptor 9

Cysteine 790 of Toll-like receptor 9

A redox-regulated disulphide may form within Toll-like receptor 9 between cysteines 469 and 498.

Details

Redox score ?
82
PDB code
3wpe
Structure name
crystal structure of bovine tlr9 in complex with agonistic dna1668_12mer
Structure deposition date
2014-01-11
Thiol separation (Å)
3
Half-sphere exposure sum ?
59
Minimum pKa ?
8
% buried
52
Peptide accession
Q5I2M5
Residue number A
469
Residue number B
498
Peptide name
Toll-like receptor 9

Ligandability

Cysteine 469 of Toll-like receptor 9

Cysteine 498 of Toll-like receptor 9

A redox-regulated disulphide may form within Toll-like receptor 9 between cysteines 98 and 110.

Details

Redox score ?
81
PDB code
3wpc
Structure name
crystal structure of horse tlr9 in complex with agonistic dna1668_12mer
Structure deposition date
2014-01-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q2EEY0
Residue number A
98
Residue number B
110
Peptide name
Toll-like receptor 9

Ligandability

Cysteine 98 of Toll-like receptor 9

Cysteine 110 of Toll-like receptor 9

A redox-regulated disulphide may form within Toll-like receptor 9 between cysteines 258 and 268. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
3wpf
Structure name
crystal structure of mouse tlr9 (unliganded form)
Structure deposition date
2014-01-11
Thiol separation (Å)
9
Half-sphere exposure sum ?
48
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9EQU3
Residue number A
258
Residue number B
268
Peptide name
Toll-like receptor 9

Ligandability

Cysteine 258 of Toll-like receptor 9

Cysteine 268 of Toll-like receptor 9

A redox-regulated disulphide may form within Toll-like receptor 9 between cysteines 265 and 268. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
3wpc
Structure name
crystal structure of horse tlr9 in complex with agonistic dna1668_12mer
Structure deposition date
2014-01-11
Thiol separation (Å)
9
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q2EEY0
Residue number A
265
Residue number B
268
Peptide name
Toll-like receptor 9

Ligandability

Cysteine 265 of Toll-like receptor 9

Cysteine 268 of Toll-like receptor 9

A redox-regulated disulphide may form within Toll-like receptor 9 between cysteines 255 and 258. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
3wph
Structure name
crystal structure of mouse tlr9 in complex with inhibitory dna4084 (form 2)
Structure deposition date
2014-01-11
Thiol separation (Å)
9
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9EQU3
Residue number A
255
Residue number B
258
Peptide name
Toll-like receptor 9

Ligandability

Cysteine 255 of Toll-like receptor 9

Cysteine 258 of Toll-like receptor 9

A redox-regulated disulphide may form within Toll-like receptor 9 between cysteines 255 and 265. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
3wpc
Structure name
crystal structure of horse tlr9 in complex with agonistic dna1668_12mer
Structure deposition date
2014-01-11
Thiol separation (Å)
10
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q2EEY0
Residue number A
255
Residue number B
265
Peptide name
Toll-like receptor 9

Ligandability

Cysteine 255 of Toll-like receptor 9

Cysteine 265 of Toll-like receptor 9

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