ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Baculoviral IAP repeat-containing protein 3

Intermolecular
Cysteine 28 and cysteine 28 L
Intramolecular
Cysteine 66 and cysteine 93
Cysteine 69 and cysteine 93
Cysteine 578 and cysteine 581
Cysteine 66 and cysteine 69
Cysteine 572 and cysteine 591
Cysteine 560 and cysteine 581
Cysteine 572 and cysteine 588
Cysteine 68 and cysteine 93
Cysteine 560 and cysteine 578
More...
Cysteine 588 and cysteine 591
Cysteine 557 and cysteine 560
Cysteine 66 and cysteine 68
Cysteine 557 and cysteine 578
Cysteine 292 and cysteine 319
Cysteine 292 and cysteine 295
Cysteine 68 and cysteine 69
Cysteine 292 and cysteine 294
Cysteine 294 and cysteine 319
Cysteine 294 and cysteine 295
Cysteine 557 and cysteine 581
Cysteine 295 and cysteine 319
A redox-regulated disulphide may form between two units of Baculoviral IAP repeat-containing protein 3 at cysteines 28 and 28.

Details

Redox score ?
78
PDB code
7nk0
Structure name
structure of the bir1 domain of ciap2
Structure deposition date
2021-02-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide A name
Baculoviral IAP repeat-containing protein 3
Peptide B name
Baculoviral IAP repeat-containing protein 3
Peptide A accession
Q13489
Peptide B accession
Q13489
Peptide A residue number
28
Peptide B residue number
28

Ligandability

A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 3 between cysteines 66 and 93.

Details

Redox score ?
88
PDB code
7nk0
Structure name
structure of the bir1 domain of ciap2
Structure deposition date
2021-02-17
Thiol separation (Å)
4
Half-sphere exposure sum ?
57
Minimum pKa ?
6
% buried
20
Peptide accession
Q13489
Residue number A
66
Residue number B
93
Peptide name
Baculoviral IAP repeat-containing protein 3

Ligandability

Cysteine 66 of Baculoviral IAP repeat-containing protein 3

Cysteine 93 of Baculoviral IAP repeat-containing protein 3

A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 3 between cysteines 69 and 93.

Details

Redox score ?
83
PDB code
7nk0
Structure name
structure of the bir1 domain of ciap2
Structure deposition date
2021-02-17
Thiol separation (Å)
4
Half-sphere exposure sum ?
44
Minimum pKa ?
8
% buried
9
Peptide accession
Q13489
Residue number A
69
Residue number B
93
Peptide name
Baculoviral IAP repeat-containing protein 3

Ligandability

Cysteine 69 of Baculoviral IAP repeat-containing protein 3

Cysteine 93 of Baculoviral IAP repeat-containing protein 3

A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 3 between cysteines 578 and 581.

Details

Redox score ?
83
PDB code
3eb5
Structure name
structure of the ciap2 ring domain
Structure deposition date
2008-08-27
Thiol separation (Å)
3
Half-sphere exposure sum ?
58
Minimum pKa ?
8
% buried
1
Peptide accession
Q13489
Residue number A
578
Residue number B
581
Peptide name
Baculoviral IAP repeat-containing protein 3

Ligandability

Cysteine 578 of Baculoviral IAP repeat-containing protein 3

Cysteine 581 of Baculoviral IAP repeat-containing protein 3

A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 3 between cysteines 66 and 69.

Details

Redox score ?
82
PDB code
7nk0
Structure name
structure of the bir1 domain of ciap2
Structure deposition date
2021-02-17
Thiol separation (Å)
3
Half-sphere exposure sum ?
61
Minimum pKa ?
9
% buried
26
Peptide accession
Q13489
Residue number A
66
Residue number B
69
Peptide name
Baculoviral IAP repeat-containing protein 3

Ligandability

Cysteine 66 of Baculoviral IAP repeat-containing protein 3

Cysteine 69 of Baculoviral IAP repeat-containing protein 3

A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 3 between cysteines 572 and 591.

Details

Redox score ?
81
PDB code
3eb6
Structure name
structure of the ciap2 ring domain bound to ubch5b
Structure deposition date
2008-08-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
43
Minimum pKa ?
7
% buried
2
Peptide accession
Q13489
Residue number A
572
Residue number B
591
Peptide name
Baculoviral IAP repeat-containing protein 3

Ligandability

Cysteine 572 of Baculoviral IAP repeat-containing protein 3

Cysteine 591 of Baculoviral IAP repeat-containing protein 3

A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 3 between cysteines 560 and 581.

Details

Redox score ?
80
PDB code
3eb5
Structure name
structure of the ciap2 ring domain
Structure deposition date
2008-08-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
44
Minimum pKa ?
9
% buried
0
Peptide accession
Q13489
Residue number A
560
Residue number B
581
Peptide name
Baculoviral IAP repeat-containing protein 3

Ligandability

Cysteine 560 of Baculoviral IAP repeat-containing protein 3

Cysteine 581 of Baculoviral IAP repeat-containing protein 3

A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 3 between cysteines 572 and 588.

Details

Redox score ?
80
PDB code
3eb6
Structure name
structure of the ciap2 ring domain bound to ubch5b
Structure deposition date
2008-08-27
Thiol separation (Å)
3
Half-sphere exposure sum ?
56
Minimum pKa ?
9
% buried
16
Peptide accession
Q13489
Residue number A
572
Residue number B
588
Peptide name
Baculoviral IAP repeat-containing protein 3

Ligandability

Cysteine 572 of Baculoviral IAP repeat-containing protein 3

Cysteine 588 of Baculoviral IAP repeat-containing protein 3

A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 3 between cysteines 68 and 93.

Details

Redox score ?
79
PDB code
7nk0
Structure name
structure of the bir1 domain of ciap2
Structure deposition date
2021-02-17
Thiol separation (Å)
4
Half-sphere exposure sum ?
46
Minimum pKa ?
8
% buried
2
Peptide accession
Q13489
Residue number A
68
Residue number B
93
Peptide name
Baculoviral IAP repeat-containing protein 3

Ligandability

Cysteine 68 of Baculoviral IAP repeat-containing protein 3

Cysteine 93 of Baculoviral IAP repeat-containing protein 3

A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 3 between cysteines 560 and 578.

Details

Redox score ?
79
PDB code
3eb5
Structure name
structure of the ciap2 ring domain
Structure deposition date
2008-08-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
52
Minimum pKa ?
8
% buried
1
Peptide accession
Q13489
Residue number A
560
Residue number B
578
Peptide name
Baculoviral IAP repeat-containing protein 3

Ligandability

Cysteine 560 of Baculoviral IAP repeat-containing protein 3

Cysteine 578 of Baculoviral IAP repeat-containing protein 3

A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 3 between cysteines 588 and 591.

Details

Redox score ?
78
PDB code
3eb6
Structure name
structure of the ciap2 ring domain bound to ubch5b
Structure deposition date
2008-08-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
55
Minimum pKa ?
7
% buried
15
Peptide accession
Q13489
Residue number A
588
Residue number B
591
Peptide name
Baculoviral IAP repeat-containing protein 3

Ligandability

Cysteine 588 of Baculoviral IAP repeat-containing protein 3

Cysteine 591 of Baculoviral IAP repeat-containing protein 3

A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 3 between cysteines 557 and 560.

Details

Redox score ?
78
PDB code
3eb6
Structure name
structure of the ciap2 ring domain bound to ubch5b
Structure deposition date
2008-08-27
Thiol separation (Å)
3
Half-sphere exposure sum ?
67
Minimum pKa ?
8
% buried
nan
Peptide accession
Q13489
Residue number A
557
Residue number B
560
Peptide name
Baculoviral IAP repeat-containing protein 3

Ligandability

Cysteine 557 of Baculoviral IAP repeat-containing protein 3

Cysteine 560 of Baculoviral IAP repeat-containing protein 3

A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 3 between cysteines 66 and 68.

Details

Redox score ?
73
PDB code
3m0d
Structure name
crystal structure of the traf1:traf2:ciap2 complex
Structure deposition date
2010-03-02
Thiol separation (Å)
5
Half-sphere exposure sum ?
55
Minimum pKa ?
8
% buried
16
Peptide accession
Q13489
Residue number A
66
Residue number B
68
Peptide name
Baculoviral IAP repeat-containing protein 3

Ligandability

Cysteine 66 of Baculoviral IAP repeat-containing protein 3

Cysteine 68 of Baculoviral IAP repeat-containing protein 3

A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 3 between cysteines 557 and 578.

Details

Redox score ?
69
PDB code
3eb6
Structure name
structure of the ciap2 ring domain bound to ubch5b
Structure deposition date
2008-08-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
10
% buried
nan
Peptide accession
Q13489
Residue number A
557
Residue number B
578
Peptide name
Baculoviral IAP repeat-containing protein 3

Ligandability

Cysteine 557 of Baculoviral IAP repeat-containing protein 3

Cysteine 578 of Baculoviral IAP repeat-containing protein 3

A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 3 between cysteines 292 and 319.

Details

Redox score ?
69
PDB code
2uvl
Structure name
human bir3 domain of baculoviral inhibitor of apoptosis repeat- containing 3 (birc3)
Structure deposition date
2007-03-12
Thiol separation (Å)
4
Half-sphere exposure sum ?
80
Minimum pKa ?
10
% buried
nan
Peptide accession
Q13489
Residue number A
292
Residue number B
319
Peptide name
Baculoviral IAP repeat-containing protein 3

Ligandability

Cysteine 292 of Baculoviral IAP repeat-containing protein 3

Cysteine 319 of Baculoviral IAP repeat-containing protein 3

A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 3 between cysteines 292 and 295.

Details

Redox score ?
69
PDB code
2uvl
Structure name
human bir3 domain of baculoviral inhibitor of apoptosis repeat- containing 3 (birc3)
Structure deposition date
2007-03-12
Thiol separation (Å)
4
Half-sphere exposure sum ?
68
Minimum pKa ?
10
% buried
82
Peptide accession
Q13489
Residue number A
292
Residue number B
295
Peptide name
Baculoviral IAP repeat-containing protein 3

Ligandability

Cysteine 292 of Baculoviral IAP repeat-containing protein 3

Cysteine 295 of Baculoviral IAP repeat-containing protein 3

A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 3 between cysteines 68 and 69.

Details

Redox score ?
65
PDB code
3m0d
Structure name
crystal structure of the traf1:traf2:ciap2 complex
Structure deposition date
2010-03-02
Thiol separation (Å)
6
Half-sphere exposure sum ?
43
Minimum pKa ?
9
% buried
5
Peptide accession
Q13489
Residue number A
68
Residue number B
69
Peptide name
Baculoviral IAP repeat-containing protein 3

Ligandability

Cysteine 68 of Baculoviral IAP repeat-containing protein 3

Cysteine 69 of Baculoviral IAP repeat-containing protein 3

A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 3 between cysteines 292 and 294.

Details

Redox score ?
62
PDB code
2uvl
Structure name
human bir3 domain of baculoviral inhibitor of apoptosis repeat- containing 3 (birc3)
Structure deposition date
2007-03-12
Thiol separation (Å)
5
Half-sphere exposure sum ?
69
Minimum pKa ?
9
% buried
56
Peptide accession
Q13489
Residue number A
292
Residue number B
294
Peptide name
Baculoviral IAP repeat-containing protein 3

Ligandability

Cysteine 292 of Baculoviral IAP repeat-containing protein 3

Cysteine 294 of Baculoviral IAP repeat-containing protein 3

A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 3 between cysteines 294 and 319.

Details

Redox score ?
61
PDB code
2uvl
Structure name
human bir3 domain of baculoviral inhibitor of apoptosis repeat- containing 3 (birc3)
Structure deposition date
2007-03-12
Thiol separation (Å)
4
Half-sphere exposure sum ?
69
Minimum pKa ?
14
% buried
nan
Peptide accession
Q13489
Residue number A
294
Residue number B
319
Peptide name
Baculoviral IAP repeat-containing protein 3

Ligandability

Cysteine 294 of Baculoviral IAP repeat-containing protein 3

Cysteine 319 of Baculoviral IAP repeat-containing protein 3

A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 3 between cysteines 294 and 295. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
2uvl
Structure name
human bir3 domain of baculoviral inhibitor of apoptosis repeat- containing 3 (birc3)
Structure deposition date
2007-03-12
Thiol separation (Å)
6
Half-sphere exposure sum ?
55
Minimum pKa ?
9
% buried
50
Peptide accession
Q13489
Residue number A
294
Residue number B
295
Peptide name
Baculoviral IAP repeat-containing protein 3

Ligandability

Cysteine 294 of Baculoviral IAP repeat-containing protein 3

Cysteine 295 of Baculoviral IAP repeat-containing protein 3

A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 3 between cysteines 557 and 581. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
3eb6
Structure name
structure of the ciap2 ring domain bound to ubch5b
Structure deposition date
2008-08-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
62
Minimum pKa ?
19
% buried
nan
Peptide accession
Q13489
Residue number A
557
Residue number B
581
Peptide name
Baculoviral IAP repeat-containing protein 3

Ligandability

Cysteine 557 of Baculoviral IAP repeat-containing protein 3

Cysteine 581 of Baculoviral IAP repeat-containing protein 3

A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 3 between cysteines 295 and 319. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
2uvl
Structure name
human bir3 domain of baculoviral inhibitor of apoptosis repeat- containing 3 (birc3)
Structure deposition date
2007-03-12
Thiol separation (Å)
4
Half-sphere exposure sum ?
74
Minimum pKa ?
19
% buried
nan
Peptide accession
Q13489
Residue number A
295
Residue number B
319
Peptide name
Baculoviral IAP repeat-containing protein 3

Ligandability

Cysteine 295 of Baculoviral IAP repeat-containing protein 3

Cysteine 319 of Baculoviral IAP repeat-containing protein 3

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