ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Defensin beta 4A

Intermolecular
Cysteine 38 and cysteine 38
Cysteine 38 and cysteine 53
Cysteine 53 and cysteine 53
Intramolecular
Cysteine 43 and cysteine 61
Cysteine 31 and cysteine 60
Cysteine 31 and cysteine 53
Cysteine 31 and cysteine 38
Cysteine 53 and cysteine 60
Cysteine 38 and cysteine 60
Cysteine 60 and cysteine 61
More...
Cysteine 43 and cysteine 60
Cysteine 31 and cysteine 61
Cysteine 53 and cysteine 61
Cysteine 38 and cysteine 61
Cysteine 31 and cysteine 43
Cysteine 43 and cysteine 53
Cysteine 38 and cysteine 43
A redox-regulated disulphide may form between two units of Defensin beta 4A at cysteines 38 and 38 (15 and 15 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
60
PDB code
1fd4
Structure name
human beta-defensin 2
Structure deposition date
2000-07-19
Thiol separation (Å)
5
Half-sphere exposure sum ?
107
Minimum pKa ?
nan
% buried
nan
Peptide A name
Defensin beta 4A
Peptide B name
Defensin beta 4A
Peptide A accession
O15263
Peptide B accession
O15263
Peptide A residue number
38
Peptide B residue number
38

Ligandability

A redox-regulated disulphide may form between two units of Defensin beta 4A at cysteines 38 and 53 (15 and 30 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
1fd4
Structure name
human beta-defensin 2
Structure deposition date
2000-07-19
Thiol separation (Å)
7
Half-sphere exposure sum ?
97
Minimum pKa ?
nan
% buried
nan
Peptide A name
Defensin beta 4A
Peptide B name
Defensin beta 4A
Peptide A accession
O15263
Peptide B accession
O15263
Peptide A residue number
38
Peptide B residue number
53

Ligandability

Cysteine 38 of Defensin beta 4A

Cysteine 53 of Defensin beta 4A

A redox-regulated disulphide may form between two units of Defensin beta 4A at cysteines 53 and 53 (30 and 30 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
1fd4
Structure name
human beta-defensin 2
Structure deposition date
2000-07-19
Thiol separation (Å)
9
Half-sphere exposure sum ?
94
Minimum pKa ?
nan
% buried
nan
Peptide A name
Defensin beta 4A
Peptide B name
Defensin beta 4A
Peptide A accession
O15263
Peptide B accession
O15263
Peptide A residue number
53
Peptide B residue number
53

Ligandability

A redox-regulated disulphide may form within Defensin beta 4A between cysteines 43 and 61 (20 and 38 respectively in this structure).

Details

Redox score ?
83
PDB code
1fd4
Structure name
human beta-defensin 2
Structure deposition date
2000-07-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15263
Residue number A
43
Residue number B
61
Peptide name
Defensin beta 4A

Ligandability

Cysteine 43 of Defensin beta 4A

Cysteine 61 of Defensin beta 4A

A redox-regulated disulphide may form within Defensin beta 4A between cysteines 31 and 60 (8 and 37 respectively in this structure).

Details

Redox score ?
81
PDB code
1fd4
Structure name
human beta-defensin 2
Structure deposition date
2000-07-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15263
Residue number A
31
Residue number B
60
Peptide name
Defensin beta 4A

Ligandability

Cysteine 31 of Defensin beta 4A

Cysteine 60 of Defensin beta 4A

A redox-regulated disulphide may form within Defensin beta 4A between cysteines 31 and 53 (8 and 30 respectively in this structure).

Details

Redox score ?
75
PDB code
1fd3
Structure name
human beta-defensin 2
Structure deposition date
2000-07-19
Thiol separation (Å)
4
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15263
Residue number A
31
Residue number B
53
Peptide name
Defensin beta 4A

Ligandability

Cysteine 31 of Defensin beta 4A

Cysteine 53 of Defensin beta 4A

A redox-regulated disulphide may form within Defensin beta 4A between cysteines 31 and 38 (8 and 15 respectively in this structure).

Details

Redox score ?
72
PDB code
6cs9
Structure name
crystal structure of human beta-defensin 2 in complex with pip2
Structure deposition date
2018-03-20
Thiol separation (Å)
4
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15263
Residue number A
31
Residue number B
38
Peptide name
Defensin beta 4A

Ligandability

Cysteine 31 of Defensin beta 4A

Cysteine 38 of Defensin beta 4A

A redox-regulated disulphide may form within Defensin beta 4A between cysteines 53 and 60 (30 and 37 respectively in this structure).

Details

Redox score ?
67
PDB code
1fd4
Structure name
human beta-defensin 2
Structure deposition date
2000-07-19
Thiol separation (Å)
4
Half-sphere exposure sum ?
87
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15263
Residue number A
53
Residue number B
60
Peptide name
Defensin beta 4A

Ligandability

Cysteine 53 of Defensin beta 4A

Cysteine 60 of Defensin beta 4A

A redox-regulated disulphide may form within Defensin beta 4A between cysteines 38 and 60 (15 and 37 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
60
PDB code
1fd3
Structure name
human beta-defensin 2
Structure deposition date
2000-07-19
Thiol separation (Å)
5
Half-sphere exposure sum ?
94
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15263
Residue number A
38
Residue number B
60
Peptide name
Defensin beta 4A

Ligandability

Cysteine 38 of Defensin beta 4A

Cysteine 60 of Defensin beta 4A

A redox-regulated disulphide may form within Defensin beta 4A between cysteines 60 and 61 (37 and 38 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
1fd3
Structure name
human beta-defensin 2
Structure deposition date
2000-07-19
Thiol separation (Å)
7
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15263
Residue number A
60
Residue number B
61
Peptide name
Defensin beta 4A

Ligandability

Cysteine 60 of Defensin beta 4A

Cysteine 61 of Defensin beta 4A

A redox-regulated disulphide may form within Defensin beta 4A between cysteines 43 and 60 (20 and 37 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
1fd3
Structure name
human beta-defensin 2
Structure deposition date
2000-07-19
Thiol separation (Å)
8
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15263
Residue number A
43
Residue number B
60
Peptide name
Defensin beta 4A

Ligandability

Cysteine 43 of Defensin beta 4A

Cysteine 60 of Defensin beta 4A

A redox-regulated disulphide may form within Defensin beta 4A between cysteines 31 and 61 (8 and 38 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
1fd3
Structure name
human beta-defensin 2
Structure deposition date
2000-07-19
Thiol separation (Å)
7
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15263
Residue number A
31
Residue number B
61
Peptide name
Defensin beta 4A

Ligandability

Cysteine 31 of Defensin beta 4A

Cysteine 61 of Defensin beta 4A

A redox-regulated disulphide may form within Defensin beta 4A between cysteines 53 and 61 (30 and 38 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
1fd3
Structure name
human beta-defensin 2
Structure deposition date
2000-07-19
Thiol separation (Å)
7
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15263
Residue number A
53
Residue number B
61
Peptide name
Defensin beta 4A

Ligandability

Cysteine 53 of Defensin beta 4A

Cysteine 61 of Defensin beta 4A

A redox-regulated disulphide may form within Defensin beta 4A between cysteines 38 and 61 (15 and 38 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
1fd3
Structure name
human beta-defensin 2
Structure deposition date
2000-07-19
Thiol separation (Å)
8
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15263
Residue number A
38
Residue number B
61
Peptide name
Defensin beta 4A

Ligandability

Cysteine 38 of Defensin beta 4A

Cysteine 61 of Defensin beta 4A

A redox-regulated disulphide may form within Defensin beta 4A between cysteines 31 and 43 (8 and 20 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
1fd4
Structure name
human beta-defensin 2
Structure deposition date
2000-07-19
Thiol separation (Å)
9
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15263
Residue number A
31
Residue number B
43
Peptide name
Defensin beta 4A

Ligandability

Cysteine 31 of Defensin beta 4A

Cysteine 43 of Defensin beta 4A

A redox-regulated disulphide may form within Defensin beta 4A between cysteines 43 and 53 (20 and 30 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
6cs9
Structure name
crystal structure of human beta-defensin 2 in complex with pip2
Structure deposition date
2018-03-20
Thiol separation (Å)
9
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15263
Residue number A
43
Residue number B
53
Peptide name
Defensin beta 4A

Ligandability

Cysteine 43 of Defensin beta 4A

Cysteine 53 of Defensin beta 4A

A redox-regulated disulphide may form within Defensin beta 4A between cysteines 38 and 43 (15 and 20 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
1fd4
Structure name
human beta-defensin 2
Structure deposition date
2000-07-19
Thiol separation (Å)
10
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15263
Residue number A
38
Residue number B
43
Peptide name
Defensin beta 4A

Ligandability

Cysteine 38 of Defensin beta 4A

Cysteine 43 of Defensin beta 4A

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