ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Antileukoproteinase

Intermolecular
Cysteine 71 of Neutrophil elastase and cysteine 122
Cysteine 55 of Neutrophil elastase and cysteine 122
Cysteine 71 of Neutrophil elastase and cysteine 96
Cysteine 55 of Neutrophil elastase and cysteine 96
Intramolecular
Cysteine 111 and cysteine 126
Cysteine 105 and cysteine 117
Cysteine 89 and cysteine 118
Cysteine 96 and cysteine 122
Cysteine 105 and cysteine 111
Cysteine 105 and cysteine 126
More...
Cysteine 111 and cysteine 117
Cysteine 117 and cysteine 126
Cysteine 117 and cysteine 118
Cysteine 111 and cysteine 118
Cysteine 89 and cysteine 117
Cysteine 105 and cysteine 118
Cysteine 89 and cysteine 105
Cysteine 89 and cysteine 111
Cysteine 118 and cysteine 126
A redox-regulated disulphide may form between cysteine 71 of Neutrophil elastase and cysteine 122 of Antileukoproteinase (58 and 97 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
2z7f
Structure name
crystal structure of the complex of human neutrophil elastase with 1/2slpi
Structure deposition date
2007-08-20
Thiol separation (Å)
8
Half-sphere exposure sum ?
86
Minimum pKa ?
nan
% buried
nan
Peptide A name
Neutrophil elastase
Peptide B name
Antileukoproteinase
Peptide A accession
P08246
Peptide B accession
P03973
Peptide A residue number
71
Peptide B residue number
122

Ligandability

Cysteine 71 of Neutrophil elastase

Cysteine 122 of Antileukoproteinase

A redox-regulated disulphide may form between cysteine 55 of Neutrophil elastase and cysteine 122 of Antileukoproteinase (42 and 97 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
2z7f
Structure name
crystal structure of the complex of human neutrophil elastase with 1/2slpi
Structure deposition date
2007-08-20
Thiol separation (Å)
8
Half-sphere exposure sum ?
85
Minimum pKa ?
nan
% buried
nan
Peptide A name
Neutrophil elastase
Peptide B name
Antileukoproteinase
Peptide A accession
P08246
Peptide B accession
P03973
Peptide A residue number
55
Peptide B residue number
122

Ligandability

Cysteine 55 of Neutrophil elastase

Cysteine 122 of Antileukoproteinase

A redox-regulated disulphide may form between cysteine 71 of Neutrophil elastase and cysteine 96 of Antileukoproteinase (58 and 71 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
2z7f
Structure name
crystal structure of the complex of human neutrophil elastase with 1/2slpi
Structure deposition date
2007-08-20
Thiol separation (Å)
8
Half-sphere exposure sum ?
95
Minimum pKa ?
nan
% buried
nan
Peptide A name
Neutrophil elastase
Peptide B name
Antileukoproteinase
Peptide A accession
P08246
Peptide B accession
P03973
Peptide A residue number
71
Peptide B residue number
96

Ligandability

Cysteine 71 of Neutrophil elastase

Cysteine 96 of Antileukoproteinase

A redox-regulated disulphide may form between cysteine 55 of Neutrophil elastase and cysteine 96 of Antileukoproteinase (42 and 71 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
2z7f
Structure name
crystal structure of the complex of human neutrophil elastase with 1/2slpi
Structure deposition date
2007-08-20
Thiol separation (Å)
8
Half-sphere exposure sum ?
94
Minimum pKa ?
nan
% buried
nan
Peptide A name
Neutrophil elastase
Peptide B name
Antileukoproteinase
Peptide A accession
P08246
Peptide B accession
P03973
Peptide A residue number
55
Peptide B residue number
96

Ligandability

Cysteine 55 of Neutrophil elastase

Cysteine 96 of Antileukoproteinase

A redox-regulated disulphide may form within Antileukoproteinase between cysteines 111 and 126 (86 and 101 respectively in this structure).

Details

Redox score ?
87
PDB code
4doq
Structure name
crystal structure of the complex of porcine pancreatic trypsin with 1/2slpi
Structure deposition date
2012-02-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide accession
P03973
Residue number A
111
Residue number B
126
Peptide name
Antileukoproteinase

Ligandability

Cysteine 111 of Antileukoproteinase

Cysteine 126 of Antileukoproteinase

A redox-regulated disulphide may form within Antileukoproteinase between cysteines 105 and 117 (80 and 92 respectively in this structure).

Details

Redox score ?
84
PDB code
4doq
Structure name
crystal structure of the complex of porcine pancreatic trypsin with 1/2slpi
Structure deposition date
2012-02-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
P03973
Residue number A
105
Residue number B
117
Peptide name
Antileukoproteinase

Ligandability

Cysteine 105 of Antileukoproteinase

Cysteine 117 of Antileukoproteinase

A redox-regulated disulphide may form within Antileukoproteinase between cysteines 89 and 118 (64 and 93 respectively in this structure).

Details

Redox score ?
83
PDB code
4doq
Structure name
crystal structure of the complex of porcine pancreatic trypsin with 1/2slpi
Structure deposition date
2012-02-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
P03973
Residue number A
89
Residue number B
118
Peptide name
Antileukoproteinase

Ligandability

Cysteine 89 of Antileukoproteinase

Cysteine 118 of Antileukoproteinase

A redox-regulated disulphide may form within Antileukoproteinase between cysteines 96 and 122 (71 and 97 respectively in this structure).

Details

Redox score ?
82
PDB code
4doq
Structure name
crystal structure of the complex of porcine pancreatic trypsin with 1/2slpi
Structure deposition date
2012-02-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
P03973
Residue number A
96
Residue number B
122
Peptide name
Antileukoproteinase

Ligandability

Cysteine 96 of Antileukoproteinase

Cysteine 122 of Antileukoproteinase

A redox-regulated disulphide may form within Antileukoproteinase between cysteines 105 and 111 (80 and 86 respectively in this structure).

Details

Redox score ?
77
PDB code
4doq
Structure name
crystal structure of the complex of porcine pancreatic trypsin with 1/2slpi
Structure deposition date
2012-02-10
Thiol separation (Å)
4
Half-sphere exposure sum ?
42
Minimum pKa ?
nan
% buried
nan
Peptide accession
P03973
Residue number A
105
Residue number B
111
Peptide name
Antileukoproteinase

Ligandability

Cysteine 105 of Antileukoproteinase

Cysteine 111 of Antileukoproteinase

A redox-regulated disulphide may form within Antileukoproteinase between cysteines 105 and 126 (80 and 101 respectively in this structure).

Details

Redox score ?
74
PDB code
4doq
Structure name
crystal structure of the complex of porcine pancreatic trypsin with 1/2slpi
Structure deposition date
2012-02-10
Thiol separation (Å)
4
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide accession
P03973
Residue number A
105
Residue number B
126
Peptide name
Antileukoproteinase

Ligandability

Cysteine 105 of Antileukoproteinase

Cysteine 126 of Antileukoproteinase

A redox-regulated disulphide may form within Antileukoproteinase between cysteines 111 and 117 (86 and 92 respectively in this structure).

Details

Redox score ?
70
PDB code
4doq
Structure name
crystal structure of the complex of porcine pancreatic trypsin with 1/2slpi
Structure deposition date
2012-02-10
Thiol separation (Å)
5
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
P03973
Residue number A
111
Residue number B
117
Peptide name
Antileukoproteinase

Ligandability

Cysteine 111 of Antileukoproteinase

Cysteine 117 of Antileukoproteinase

A redox-regulated disulphide may form within Antileukoproteinase between cysteines 117 and 126 (92 and 101 respectively in this structure).

Details

Redox score ?
62
PDB code
4doq
Structure name
crystal structure of the complex of porcine pancreatic trypsin with 1/2slpi
Structure deposition date
2012-02-10
Thiol separation (Å)
6
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
P03973
Residue number A
117
Residue number B
126
Peptide name
Antileukoproteinase

Ligandability

Cysteine 117 of Antileukoproteinase

Cysteine 126 of Antileukoproteinase

A redox-regulated disulphide may form within Antileukoproteinase between cysteines 117 and 118 (92 and 93 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
4doq
Structure name
crystal structure of the complex of porcine pancreatic trypsin with 1/2slpi
Structure deposition date
2012-02-10
Thiol separation (Å)
7
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
P03973
Residue number A
117
Residue number B
118
Peptide name
Antileukoproteinase

Ligandability

Cysteine 117 of Antileukoproteinase

Cysteine 118 of Antileukoproteinase

A redox-regulated disulphide may form within Antileukoproteinase between cysteines 111 and 118 (86 and 93 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
4doq
Structure name
crystal structure of the complex of porcine pancreatic trypsin with 1/2slpi
Structure deposition date
2012-02-10
Thiol separation (Å)
8
Half-sphere exposure sum ?
54
Minimum pKa ?
nan
% buried
nan
Peptide accession
P03973
Residue number A
111
Residue number B
118
Peptide name
Antileukoproteinase

Ligandability

Cysteine 111 of Antileukoproteinase

Cysteine 118 of Antileukoproteinase

A redox-regulated disulphide may form within Antileukoproteinase between cysteines 89 and 117 (64 and 92 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
4doq
Structure name
crystal structure of the complex of porcine pancreatic trypsin with 1/2slpi
Structure deposition date
2012-02-10
Thiol separation (Å)
8
Half-sphere exposure sum ?
54
Minimum pKa ?
nan
% buried
nan
Peptide accession
P03973
Residue number A
89
Residue number B
117
Peptide name
Antileukoproteinase

Ligandability

Cysteine 89 of Antileukoproteinase

Cysteine 117 of Antileukoproteinase

A redox-regulated disulphide may form within Antileukoproteinase between cysteines 105 and 118 (80 and 93 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
4doq
Structure name
crystal structure of the complex of porcine pancreatic trypsin with 1/2slpi
Structure deposition date
2012-02-10
Thiol separation (Å)
7
Half-sphere exposure sum ?
54
Minimum pKa ?
nan
% buried
nan
Peptide accession
P03973
Residue number A
105
Residue number B
118
Peptide name
Antileukoproteinase

Ligandability

Cysteine 105 of Antileukoproteinase

Cysteine 118 of Antileukoproteinase

A redox-regulated disulphide may form within Antileukoproteinase between cysteines 89 and 105 (64 and 80 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
4doq
Structure name
crystal structure of the complex of porcine pancreatic trypsin with 1/2slpi
Structure deposition date
2012-02-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
45
Minimum pKa ?
nan
% buried
nan
Peptide accession
P03973
Residue number A
89
Residue number B
105
Peptide name
Antileukoproteinase

Ligandability

Cysteine 89 of Antileukoproteinase

Cysteine 105 of Antileukoproteinase

A redox-regulated disulphide may form within Antileukoproteinase between cysteines 89 and 111 (64 and 86 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
4doq
Structure name
crystal structure of the complex of porcine pancreatic trypsin with 1/2slpi
Structure deposition date
2012-02-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
45
Minimum pKa ?
nan
% buried
nan
Peptide accession
P03973
Residue number A
89
Residue number B
111
Peptide name
Antileukoproteinase

Ligandability

Cysteine 89 of Antileukoproteinase

Cysteine 111 of Antileukoproteinase

A redox-regulated disulphide may form within Antileukoproteinase between cysteines 118 and 126 (93 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 ?
44
PDB code
4doq
Structure name
crystal structure of the complex of porcine pancreatic trypsin with 1/2slpi
Structure deposition date
2012-02-10
Thiol separation (Å)
8
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
P03973
Residue number A
118
Residue number B
126
Peptide name
Antileukoproteinase

Ligandability

Cysteine 118 of Antileukoproteinase

Cysteine 126 of Antileukoproteinase

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