ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Autoimmune regulator

Intramolecular
Cysteine 446 and cysteine 475
Cysteine 446 and cysteine 449
Cysteine 446 and cysteine 472
Cysteine 434 and cysteine 437
Cysteine 434 and cysteine 457
Cysteine 337 and cysteine 340
Cysteine 472 and cysteine 475
Cysteine 449 and cysteine 472
Cysteine 314 and cysteine 337
Cysteine 449 and cysteine 475
More...
Cysteine 311 and cysteine 337
Cysteine 437 and cysteine 457
Cysteine 311 and cysteine 340
Cysteine 314 and cysteine 340
Cysteine 299 and cysteine 302
Cysteine 302 and cysteine 322
Cysteine 299 and cysteine 322
Cysteine 311 and cysteine 314
Cysteine 310 and cysteine 311
Cysteine 310 and cysteine 314
Cysteine 299 and cysteine 310
Cysteine 310 and cysteine 337
Cysteine 310 and cysteine 340
A redox-regulated disulphide may form within Autoimmune regulator between cysteines 446 and 475 (27 and 56 respectively in this structure).

Details

Redox score ?
92
PDB code
2lri
Structure name
nmr structure of the second phd finger of aire (aire-phd2)
Structure deposition date
2012-04-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
44
Minimum pKa ?
5
% buried
0
Peptide accession
O43918
Residue number A
446
Residue number B
475
Peptide name
Autoimmune regulator

Ligandability

Cysteine 446 of Autoimmune regulator

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 475 of Autoimmune regulator

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 Autoimmune regulator between cysteines 446 and 449 (27 and 30 respectively in this structure).

Details

Redox score ?
90
PDB code
2lri
Structure name
nmr structure of the second phd finger of aire (aire-phd2)
Structure deposition date
2012-04-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
42
Minimum pKa ?
5
% buried
0
Peptide accession
O43918
Residue number A
446
Residue number B
449
Peptide name
Autoimmune regulator

Ligandability

Cysteine 446 of Autoimmune regulator

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 449 of Autoimmune regulator

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 Autoimmune regulator between cysteines 446 and 472 (27 and 53 respectively in this structure).

Details

Redox score ?
88
PDB code
2lri
Structure name
nmr structure of the second phd finger of aire (aire-phd2)
Structure deposition date
2012-04-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
57
Minimum pKa ?
5
% buried
1
Peptide accession
O43918
Residue number A
446
Residue number B
472
Peptide name
Autoimmune regulator

Ligandability

Cysteine 446 of Autoimmune regulator

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 472 of Autoimmune regulator

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 Autoimmune regulator between cysteines 434 and 437 (15 and 18 respectively in this structure).

Details

Redox score ?
88
PDB code
2lri
Structure name
nmr structure of the second phd finger of aire (aire-phd2)
Structure deposition date
2012-04-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
44
Minimum pKa ?
6
% buried
0
Peptide accession
O43918
Residue number A
434
Residue number B
437
Peptide name
Autoimmune regulator

Ligandability

Cysteine 434 of Autoimmune regulator

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 437 of Autoimmune regulator

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 Autoimmune regulator between cysteines 434 and 457 (15 and 38 respectively in this structure).

Details

Redox score ?
87
PDB code
2lri
Structure name
nmr structure of the second phd finger of aire (aire-phd2)
Structure deposition date
2012-04-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
49
Minimum pKa ?
6
% buried
0
Peptide accession
O43918
Residue number A
434
Residue number B
457
Peptide name
Autoimmune regulator

Ligandability

Cysteine 434 of Autoimmune regulator

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 457 of Autoimmune regulator

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 Autoimmune regulator between cysteines 337 and 340.

Details

Redox score ?
85
PDB code
2kft
Structure name
nmr solution structure of the first phd finger domain of human autoimmune regulator (aire) in complex with histone h3(1-20cys) peptide
Structure deposition date
2009-02-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
57
Minimum pKa ?
6
% buried
12
Peptide accession
O43918
Residue number A
337
Residue number B
340
Peptide name
Autoimmune regulator

Ligandability

Cysteine 337 of Autoimmune regulator

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 340 of Autoimmune regulator

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 Autoimmune regulator between cysteines 472 and 475 (53 and 56 respectively in this structure).

Details

Redox score ?
85
PDB code
2lri
Structure name
nmr structure of the second phd finger of aire (aire-phd2)
Structure deposition date
2012-04-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
49
Minimum pKa ?
7
% buried
1
Peptide accession
O43918
Residue number A
472
Residue number B
475
Peptide name
Autoimmune regulator

Ligandability

Cysteine 472 of Autoimmune regulator

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 475 of Autoimmune regulator

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 Autoimmune regulator between cysteines 449 and 472 (30 and 53 respectively in this structure).

Details

Redox score ?
83
PDB code
2lri
Structure name
nmr structure of the second phd finger of aire (aire-phd2)
Structure deposition date
2012-04-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
47
Minimum pKa ?
7
% buried
1
Peptide accession
O43918
Residue number A
449
Residue number B
472
Peptide name
Autoimmune regulator

Ligandability

Cysteine 449 of Autoimmune regulator

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 472 of Autoimmune regulator

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 Autoimmune regulator between cysteines 314 and 337.

Details

Redox score ?
81
PDB code
2kft
Structure name
nmr solution structure of the first phd finger domain of human autoimmune regulator (aire) in complex with histone h3(1-20cys) peptide
Structure deposition date
2009-02-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
6
% buried
18
Peptide accession
O43918
Residue number A
314
Residue number B
337
Peptide name
Autoimmune regulator

Ligandability

Cysteine 314 of Autoimmune regulator

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 337 of Autoimmune regulator

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 Autoimmune regulator between cysteines 449 and 475 (30 and 56 respectively in this structure).

Details

Redox score ?
79
PDB code
2lri
Structure name
nmr structure of the second phd finger of aire (aire-phd2)
Structure deposition date
2012-04-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
34
Minimum pKa ?
10
% buried
0
Peptide accession
O43918
Residue number A
449
Residue number B
475
Peptide name
Autoimmune regulator

Ligandability

Cysteine 449 of Autoimmune regulator

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 475 of Autoimmune regulator

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 Autoimmune regulator between cysteines 311 and 337.

Details

Redox score ?
79
PDB code
2ke1
Structure name
molecular basis of non-modified histone h3 tail recognition by the first phd finger of autoimmune regulator
Structure deposition date
2009-01-22
Thiol separation (Å)
4
Half-sphere exposure sum ?
67
Minimum pKa ?
6
% buried
19
Peptide accession
O43918
Residue number A
311
Residue number B
337
Peptide name
Autoimmune regulator

Ligandability

Cysteine 311 of Autoimmune regulator

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 337 of Autoimmune regulator

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 Autoimmune regulator between cysteines 437 and 457 (18 and 38 respectively in this structure).

Details

Redox score ?
79
PDB code
2lri
Structure name
nmr structure of the second phd finger of aire (aire-phd2)
Structure deposition date
2012-04-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
41
Minimum pKa ?
10
% buried
0
Peptide accession
O43918
Residue number A
437
Residue number B
457
Peptide name
Autoimmune regulator

Ligandability

Cysteine 437 of Autoimmune regulator

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 457 of Autoimmune regulator

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 Autoimmune regulator between cysteines 311 and 340.

Details

Redox score ?
78
PDB code
2kft
Structure name
nmr solution structure of the first phd finger domain of human autoimmune regulator (aire) in complex with histone h3(1-20cys) peptide
Structure deposition date
2009-02-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
57
Minimum pKa ?
9
% buried
15
Peptide accession
O43918
Residue number A
311
Residue number B
340
Peptide name
Autoimmune regulator

Ligandability

Cysteine 311 of Autoimmune regulator

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 340 of Autoimmune regulator

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 Autoimmune regulator between cysteines 314 and 340.

Details

Redox score ?
78
PDB code
2kft
Structure name
nmr solution structure of the first phd finger domain of human autoimmune regulator (aire) in complex with histone h3(1-20cys) peptide
Structure deposition date
2009-02-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
42
Minimum pKa ?
10
% buried
6
Peptide accession
O43918
Residue number A
314
Residue number B
340
Peptide name
Autoimmune regulator

Ligandability

Cysteine 314 of Autoimmune regulator

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 340 of Autoimmune regulator

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 Autoimmune regulator between cysteines 299 and 302.

Details

Redox score ?
77
PDB code
2ke1
Structure name
molecular basis of non-modified histone h3 tail recognition by the first phd finger of autoimmune regulator
Structure deposition date
2009-01-22
Thiol separation (Å)
4
Half-sphere exposure sum ?
56
Minimum pKa ?
8
% buried
14
Peptide accession
O43918
Residue number A
299
Residue number B
302
Peptide name
Autoimmune regulator

Ligandability

Cysteine 299 of Autoimmune regulator

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 302 of Autoimmune regulator

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 Autoimmune regulator between cysteines 302 and 322.

Details

Redox score ?
76
PDB code
2ke1
Structure name
molecular basis of non-modified histone h3 tail recognition by the first phd finger of autoimmune regulator
Structure deposition date
2009-01-22
Thiol separation (Å)
4
Half-sphere exposure sum ?
45
Minimum pKa ?
8
% buried
2
Peptide accession
O43918
Residue number A
302
Residue number B
322
Peptide name
Autoimmune regulator

Ligandability

Cysteine 302 of Autoimmune regulator

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 322 of Autoimmune regulator

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 Autoimmune regulator between cysteines 299 and 322.

Details

Redox score ?
76
PDB code
2ke1
Structure name
molecular basis of non-modified histone h3 tail recognition by the first phd finger of autoimmune regulator
Structure deposition date
2009-01-22
Thiol separation (Å)
5
Half-sphere exposure sum ?
57
Minimum pKa ?
8
% buried
15
Peptide accession
O43918
Residue number A
299
Residue number B
322
Peptide name
Autoimmune regulator

Ligandability

Cysteine 299 of Autoimmune regulator

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 322 of Autoimmune regulator

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 Autoimmune regulator between cysteines 311 and 314.

Details

Redox score ?
74
PDB code
2kft
Structure name
nmr solution structure of the first phd finger domain of human autoimmune regulator (aire) in complex with histone h3(1-20cys) peptide
Structure deposition date
2009-02-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
9
% buried
20
Peptide accession
O43918
Residue number A
311
Residue number B
314
Peptide name
Autoimmune regulator

Ligandability

Cysteine 311 of Autoimmune regulator

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 314 of Autoimmune regulator

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 Autoimmune regulator between cysteines 310 and 311. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
2kft
Structure name
nmr solution structure of the first phd finger domain of human autoimmune regulator (aire) in complex with histone h3(1-20cys) peptide
Structure deposition date
2009-02-27
Thiol separation (Å)
7
Half-sphere exposure sum ?
75
Minimum pKa ?
9
% buried
28
Peptide accession
O43918
Residue number A
310
Residue number B
311
Peptide name
Autoimmune regulator

Ligandability

Cysteine 310 of Autoimmune regulator

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 311 of Autoimmune regulator

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 Autoimmune regulator between cysteines 310 and 314. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
2ke1
Structure name
molecular basis of non-modified histone h3 tail recognition by the first phd finger of autoimmune regulator
Structure deposition date
2009-01-22
Thiol separation (Å)
8
Half-sphere exposure sum ?
62
Minimum pKa ?
10
% buried
20
Peptide accession
O43918
Residue number A
310
Residue number B
314
Peptide name
Autoimmune regulator

Ligandability

Cysteine 310 of Autoimmune regulator

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 314 of Autoimmune regulator

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 Autoimmune regulator between cysteines 299 and 310. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
2ke1
Structure name
molecular basis of non-modified histone h3 tail recognition by the first phd finger of autoimmune regulator
Structure deposition date
2009-01-22
Thiol separation (Å)
9
Half-sphere exposure sum ?
73
Minimum pKa ?
8
% buried
30
Peptide accession
O43918
Residue number A
299
Residue number B
310
Peptide name
Autoimmune regulator

Ligandability

Cysteine 299 of Autoimmune regulator

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 310 of Autoimmune regulator

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 Autoimmune regulator between cysteines 310 and 337. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
2kft
Structure name
nmr solution structure of the first phd finger domain of human autoimmune regulator (aire) in complex with histone h3(1-20cys) peptide
Structure deposition date
2009-02-27
Thiol separation (Å)
10
Half-sphere exposure sum ?
75
Minimum pKa ?
6
% buried
26
Peptide accession
O43918
Residue number A
310
Residue number B
337
Peptide name
Autoimmune regulator

Ligandability

Cysteine 310 of Autoimmune regulator

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 337 of Autoimmune regulator

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 Autoimmune regulator between cysteines 310 and 340. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
2kft
Structure name
nmr solution structure of the first phd finger domain of human autoimmune regulator (aire) in complex with histone h3(1-20cys) peptide
Structure deposition date
2009-02-27
Thiol separation (Å)
10
Half-sphere exposure sum ?
56
Minimum pKa ?
10
% buried
14
Peptide accession
O43918
Residue number A
310
Residue number B
340
Peptide name
Autoimmune regulator

Ligandability

Cysteine 310 of Autoimmune regulator

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 340 of Autoimmune regulator

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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