ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Home
About
List

Toll-like receptor 8

Intramolecular
Cysteine 778 and cysteine 822
Cysteine 181 and cysteine 187
Cysteine 257 and cysteine 270
Cysteine 260 and cysteine 267
Cysteine 776 and cysteine 803
Cysteine 479 and cysteine 509
Cysteine 36 and cysteine 49
Cysteine 260 and cysteine 270
Cysteine 267 and cysteine 270
Cysteine 776 and cysteine 822
Cysteine 257 and cysteine 260
A redox-regulated disulphide may form within Toll-like receptor 8 between cysteines 778 and 822.

Details

Redox score ?
87
PDB code
5hdh
Structure name
crystal structure of human tlr8 with an uncleaved z-loop
Structure deposition date
2016-01-05
Thiol separation (Å)
2
Half-sphere exposure sum ?
37
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9NR97
Residue number A
778
Residue number B
822
Peptide name
Toll-like receptor 8

Ligandability

Cysteine 778 of Toll-like receptor 8

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 822 of Toll-like receptor 8

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 8 between cysteines 181 and 187.

Details

Redox score ?
86
PDB code
6ty5
Structure name
crystal structure of human tlr8 in complex with compound 11
Structure deposition date
2020-01-15
Thiol separation (Å)
3
Half-sphere exposure sum ?
nan
Minimum pKa ?
8
% buried
12
Peptide accession
Q9NR97
Residue number A
181
Residue number B
187
Peptide name
Toll-like receptor 8

Ligandability

Cysteine 181 of Toll-like receptor 8

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 187 of Toll-like receptor 8

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 8 between cysteines 257 and 270.

Details

Redox score ?
84
PDB code
3w3l
Structure name
crystal structure of human tlr8 in complex with resiquimod (r848) crystal form 1
Structure deposition date
2012-12-22
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9NR97
Residue number A
257
Residue number B
270
Peptide name
Toll-like receptor 8

Ligandability

Cysteine 257 of Toll-like receptor 8

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 270 of Toll-like receptor 8

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 8 between cysteines 260 and 267.

Details

Redox score ?
83
PDB code
6ty5
Structure name
crystal structure of human tlr8 in complex with compound 11
Structure deposition date
2020-01-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9NR97
Residue number A
260
Residue number B
267
Peptide name
Toll-like receptor 8

Ligandability

Cysteine 260 of Toll-like receptor 8

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 267 of Toll-like receptor 8

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 8 between cysteines 776 and 803.

Details

Redox score ?
83
PDB code
4r07
Structure name
crystal structure of human tlr8 in complex with orn06
Structure deposition date
2014-07-30
Thiol separation (Å)
2
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9NR97
Residue number A
776
Residue number B
803
Peptide name
Toll-like receptor 8

Ligandability

Cysteine 776 of Toll-like receptor 8

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 803 of Toll-like receptor 8

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 8 between cysteines 479 and 509.

Details

Redox score ?
82
PDB code
4r07
Structure name
crystal structure of human tlr8 in complex with orn06
Structure deposition date
2014-07-30
Thiol separation (Å)
2
Half-sphere exposure sum ?
71
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9NR97
Residue number A
479
Residue number B
509
Peptide name
Toll-like receptor 8

Ligandability

Cysteine 479 of Toll-like receptor 8

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 509 of Toll-like receptor 8

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 8 between cysteines 36 and 49.

Details

Redox score ?
77
PDB code
6ty5
Structure name
crystal structure of human tlr8 in complex with compound 11
Structure deposition date
2020-01-15
Thiol separation (Å)
3
Half-sphere exposure sum ?
70
Minimum pKa ?
8
% buried
72
Peptide accession
Q9NR97
Residue number A
36
Residue number B
49
Peptide name
Toll-like receptor 8

Ligandability

Cysteine 36 of Toll-like receptor 8

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 49 of Toll-like receptor 8

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 8 between cysteines 260 and 270. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
3w3l
Structure name
crystal structure of human tlr8 in complex with resiquimod (r848) crystal form 1
Structure deposition date
2012-12-22
Thiol separation (Å)
9
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9NR97
Residue number A
260
Residue number B
270
Peptide name
Toll-like receptor 8

Ligandability

Cysteine 260 of Toll-like receptor 8

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 270 of Toll-like receptor 8

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 8 between cysteines 267 and 270. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
7r53
Structure name
crystal structure of human tlr8 in complex with compound 15
Structure deposition date
2022-02-10
Thiol separation (Å)
10
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9NR97
Residue number A
267
Residue number B
270
Peptide name
Toll-like receptor 8

Ligandability

Cysteine 267 of Toll-like receptor 8

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 270 of Toll-like receptor 8

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 8 between cysteines 776 and 822. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
7crf
Structure name
crystal structure of human tlr8 in complex with cu-cpd107
Structure deposition date
2020-08-13
Thiol separation (Å)
10
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9NR97
Residue number A
776
Residue number B
822
Peptide name
Toll-like receptor 8

Ligandability

Cysteine 776 of Toll-like receptor 8

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 822 of Toll-like receptor 8

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 8 between cysteines 257 and 260. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
5awc
Structure name
crystal structure of human tlr8 in complex with mb-564
Structure deposition date
2015-07-03
Thiol separation (Å)
10
Half-sphere exposure sum ?
71
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9NR97
Residue number A
257
Residue number B
260
Peptide name
Toll-like receptor 8

Ligandability

Cysteine 257 of Toll-like receptor 8

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 260 of Toll-like receptor 8

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.

If this tool was useful for finding a disulphide, please cite: