ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Igh protein

Intermolecular
Cysteine 306 and cysteine 306
Cysteine 478 and cysteine 36 of Immunoglobulin J chain
Cysteine 478 and cysteine 90 of Immunoglobulin J chain
Cysteine 249 and cysteine 308
Cysteine 249 and cysteine 249
Cysteine 308 and cysteine 308
Cysteine 478 and cysteine 123 of Immunoglobulin J chain
Cysteine 478 and cysteine 34 of Immunoglobulin J chain
Intramolecular
Cysteine 273 and cysteine 330
Cysteine 376 and cysteine 439
More...
Cysteine 306 and cysteine 308
Cysteine 249 and cysteine 306
A redox-regulated disulphide may form between two units of Igh protein at cysteines 306 and 306 (294 and 294 respectively in this structure).

Details

Redox score ?
86
PDB code
7jg2
Structure name
secretory immunoglobin a (siga)
Structure deposition date
2020-07-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
49
Minimum pKa ?
nan
% buried
nan
Peptide A name
Igh protein
Peptide B name
Igh protein
Peptide A accession
Q99M22
Peptide B accession
Q99M22
Peptide A residue number
306
Peptide B residue number
306

Ligandability

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 cysteine 478 of Igh protein and cysteine 36 of Immunoglobulin J chain (466 and 14 respectively in this structure).

Details

Redox score ?
83
PDB code
7jg1
Structure name
dimeric immunoglobin a (diga)
Structure deposition date
2020-07-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide A name
Igh protein
Peptide B name
Immunoglobulin J chain
Peptide A accession
Q99M22
Peptide B accession
P01592
Peptide A residue number
478
Peptide B residue number
36

Ligandability

Cysteine 478 of Igh protein

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 Immunoglobulin J chain

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 cysteine 478 of Igh protein and cysteine 90 of Immunoglobulin J chain (466 and 68 respectively in this structure).

Details

Redox score ?
79
PDB code
7jg1
Structure name
dimeric immunoglobin a (diga)
Structure deposition date
2020-07-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide A name
Igh protein
Peptide B name
Immunoglobulin J chain
Peptide A accession
Q99M22
Peptide B accession
P01592
Peptide A residue number
478
Peptide B residue number
90

Ligandability

Cysteine 478 of Igh protein

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 90 of Immunoglobulin J chain

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 Igh protein at cysteines 249 and 308 (237 and 296 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
7jg1
Structure name
dimeric immunoglobin a (diga)
Structure deposition date
2020-07-18
Thiol separation (Å)
8
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Igh protein
Peptide B name
Igh protein
Peptide A accession
Q99M22
Peptide B accession
Q99M22
Peptide A residue number
249
Peptide B residue number
308

Ligandability

Cysteine 249 of Igh protein

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 308 of Igh protein

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 Igh protein at cysteines 249 and 249 (237 and 237 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
7jg2
Structure name
secretory immunoglobin a (siga)
Structure deposition date
2020-07-18
Thiol separation (Å)
10
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Igh protein
Peptide B name
Igh protein
Peptide A accession
Q99M22
Peptide B accession
Q99M22
Peptide A residue number
249
Peptide B residue number
249

Ligandability

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 Igh protein at cysteines 308 and 308 (296 and 296 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
7jg2
Structure name
secretory immunoglobin a (siga)
Structure deposition date
2020-07-18
Thiol separation (Å)
8
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide A name
Igh protein
Peptide B name
Igh protein
Peptide A accession
Q99M22
Peptide B accession
Q99M22
Peptide A residue number
308
Peptide B residue number
308

Ligandability

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 cysteine 478 of Igh protein and cysteine 123 of Immunoglobulin J chain (466 and 101 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
7jg1
Structure name
dimeric immunoglobin a (diga)
Structure deposition date
2020-07-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide A name
Igh protein
Peptide B name
Immunoglobulin J chain
Peptide A accession
Q99M22
Peptide B accession
P01592
Peptide A residue number
478
Peptide B residue number
123

Ligandability

Cysteine 478 of Igh protein

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 123 of Immunoglobulin J chain

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 cysteine 478 of Igh protein and cysteine 34 of Immunoglobulin J chain (466 and 12 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
7jg2
Structure name
secretory immunoglobin a (siga)
Structure deposition date
2020-07-18
Thiol separation (Å)
10
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide A name
Igh protein
Peptide B name
Immunoglobulin J chain
Peptide A accession
Q99M22
Peptide B accession
P01592
Peptide A residue number
478
Peptide B residue number
34

Ligandability

Cysteine 478 of Igh protein

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 34 of Immunoglobulin J chain

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 Igh protein between cysteines 273 and 330 (261 and 318 respectively in this structure).

Details

Redox score ?
83
PDB code
7jg1
Structure name
dimeric immunoglobin a (diga)
Structure deposition date
2020-07-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q99M22
Residue number A
273
Residue number B
330
Peptide name
Igh protein

Ligandability

Cysteine 273 of Igh protein

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 330 of Igh protein

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 Igh protein between cysteines 376 and 439 (364 and 427 respectively in this structure).

Details

Redox score ?
80
PDB code
7jg2
Structure name
secretory immunoglobin a (siga)
Structure deposition date
2020-07-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q99M22
Residue number A
376
Residue number B
439
Peptide name
Igh protein

Ligandability

Cysteine 376 of Igh protein

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 439 of Igh protein

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 Igh protein between cysteines 306 and 308 (294 and 296 respectively in this structure).

Details

Redox score ?
78
PDB code
7jg1
Structure name
dimeric immunoglobin a (diga)
Structure deposition date
2020-07-18
Thiol separation (Å)
3
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q99M22
Residue number A
306
Residue number B
308
Peptide name
Igh protein

Ligandability

Cysteine 306 of Igh protein

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 308 of Igh protein

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 Igh protein between cysteines 249 and 306 (237 and 294 respectively in this structure).

Details

Redox score ?
77
PDB code
7jg2
Structure name
secretory immunoglobin a (siga)
Structure deposition date
2020-07-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q99M22
Residue number A
249
Residue number B
306
Peptide name
Igh protein

Ligandability

Cysteine 249 of Igh protein

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 306 of Igh protein

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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