ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Beta-defensin 104

Intramolecular
Cysteine 37 and cysteine 51
Cysteine 41 and cysteine 58
Cysteine 30 and cysteine 57
Cysteine 30 and cysteine 51
Cysteine 30 and cysteine 37
Cysteine 51 and cysteine 57
Cysteine 37 and cysteine 57
Cysteine 41 and cysteine 57
Cysteine 57 and cysteine 58
Cysteine 30 and cysteine 58
More...
Cysteine 51 and cysteine 58
Cysteine 30 and cysteine 41
Cysteine 41 and cysteine 51
Cysteine 37 and cysteine 58
Cysteine 37 and cysteine 41
A redox-regulated disulphide may form within Beta-defensin 104 between cysteines 37 and 51 (15 and 29 respectively in this structure).

Details

Redox score ?
88
PDB code
5ki9
Structure name
crystal structure of human beta-defensin 4 (hbd4)
Structure deposition date
2016-06-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8WTQ1
Residue number A
37
Residue number B
51
Peptide name
Beta-defensin 104

Ligandability

Cysteine 37 of Beta-defensin 104

Cysteine 51 of Beta-defensin 104

A redox-regulated disulphide may form within Beta-defensin 104 between cysteines 41 and 58 (19 and 36 respectively in this structure).

Details

Redox score ?
88
PDB code
5ki9
Structure name
crystal structure of human beta-defensin 4 (hbd4)
Structure deposition date
2016-06-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8WTQ1
Residue number A
41
Residue number B
58
Peptide name
Beta-defensin 104

Ligandability

Cysteine 41 of Beta-defensin 104

Cysteine 58 of Beta-defensin 104

A redox-regulated disulphide may form within Beta-defensin 104 between cysteines 30 and 57 (8 and 35 respectively in this structure).

Details

Redox score ?
86
PDB code
5ki9
Structure name
crystal structure of human beta-defensin 4 (hbd4)
Structure deposition date
2016-06-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8WTQ1
Residue number A
30
Residue number B
57
Peptide name
Beta-defensin 104

Ligandability

Cysteine 30 of Beta-defensin 104

Cysteine 57 of Beta-defensin 104

A redox-regulated disulphide may form within Beta-defensin 104 between cysteines 30 and 51 (8 and 29 respectively in this structure).

Details

Redox score ?
78
PDB code
5ki9
Structure name
crystal structure of human beta-defensin 4 (hbd4)
Structure deposition date
2016-06-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
45
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8WTQ1
Residue number A
30
Residue number B
51
Peptide name
Beta-defensin 104

Ligandability

Cysteine 30 of Beta-defensin 104

Cysteine 51 of Beta-defensin 104

A redox-regulated disulphide may form within Beta-defensin 104 between cysteines 30 and 37 (8 and 15 respectively in this structure).

Details

Redox score ?
76
PDB code
5ki9
Structure name
crystal structure of human beta-defensin 4 (hbd4)
Structure deposition date
2016-06-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8WTQ1
Residue number A
30
Residue number B
37
Peptide name
Beta-defensin 104

Ligandability

Cysteine 30 of Beta-defensin 104

Cysteine 37 of Beta-defensin 104

A redox-regulated disulphide may form within Beta-defensin 104 between cysteines 51 and 57 (29 and 35 respectively in this structure).

Details

Redox score ?
73
PDB code
5ki9
Structure name
crystal structure of human beta-defensin 4 (hbd4)
Structure deposition date
2016-06-16
Thiol separation (Å)
5
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8WTQ1
Residue number A
51
Residue number B
57
Peptide name
Beta-defensin 104

Ligandability

Cysteine 51 of Beta-defensin 104

Cysteine 57 of Beta-defensin 104

A redox-regulated disulphide may form within Beta-defensin 104 between cysteines 37 and 57 (15 and 35 respectively in this structure).

Details

Redox score ?
66
PDB code
5ki9
Structure name
crystal structure of human beta-defensin 4 (hbd4)
Structure deposition date
2016-06-16
Thiol separation (Å)
5
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8WTQ1
Residue number A
37
Residue number B
57
Peptide name
Beta-defensin 104

Ligandability

Cysteine 37 of Beta-defensin 104

Cysteine 57 of Beta-defensin 104

A redox-regulated disulphide may form within Beta-defensin 104 between cysteines 41 and 57 (19 and 35 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
5ki9
Structure name
crystal structure of human beta-defensin 4 (hbd4)
Structure deposition date
2016-06-16
Thiol separation (Å)
7
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8WTQ1
Residue number A
41
Residue number B
57
Peptide name
Beta-defensin 104

Ligandability

Cysteine 41 of Beta-defensin 104

Cysteine 57 of Beta-defensin 104

A redox-regulated disulphide may form within Beta-defensin 104 between cysteines 57 and 58 (35 and 36 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
5ki9
Structure name
crystal structure of human beta-defensin 4 (hbd4)
Structure deposition date
2016-06-16
Thiol separation (Å)
7
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8WTQ1
Residue number A
57
Residue number B
58
Peptide name
Beta-defensin 104

Ligandability

Cysteine 57 of Beta-defensin 104

Cysteine 58 of Beta-defensin 104

A redox-regulated disulphide may form within Beta-defensin 104 between cysteines 30 and 58 (8 and 36 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
57
PDB code
5ki9
Structure name
crystal structure of human beta-defensin 4 (hbd4)
Structure deposition date
2016-06-16
Thiol separation (Å)
7
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8WTQ1
Residue number A
30
Residue number B
58
Peptide name
Beta-defensin 104

Ligandability

Cysteine 30 of Beta-defensin 104

Cysteine 58 of Beta-defensin 104

A redox-regulated disulphide may form within Beta-defensin 104 between cysteines 51 and 58 (29 and 36 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
5ki9
Structure name
crystal structure of human beta-defensin 4 (hbd4)
Structure deposition date
2016-06-16
Thiol separation (Å)
7
Half-sphere exposure sum ?
48
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8WTQ1
Residue number A
51
Residue number B
58
Peptide name
Beta-defensin 104

Ligandability

Cysteine 51 of Beta-defensin 104

Cysteine 58 of Beta-defensin 104

A redox-regulated disulphide may form within Beta-defensin 104 between cysteines 30 and 41 (8 and 19 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
5ki9
Structure name
crystal structure of human beta-defensin 4 (hbd4)
Structure deposition date
2016-06-16
Thiol separation (Å)
8
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8WTQ1
Residue number A
30
Residue number B
41
Peptide name
Beta-defensin 104

Ligandability

Cysteine 30 of Beta-defensin 104

Cysteine 41 of Beta-defensin 104

A redox-regulated disulphide may form within Beta-defensin 104 between cysteines 41 and 51 (19 and 29 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
5ki9
Structure name
crystal structure of human beta-defensin 4 (hbd4)
Structure deposition date
2016-06-16
Thiol separation (Å)
9
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8WTQ1
Residue number A
41
Residue number B
51
Peptide name
Beta-defensin 104

Ligandability

Cysteine 41 of Beta-defensin 104

Cysteine 51 of Beta-defensin 104

A redox-regulated disulphide may form within Beta-defensin 104 between cysteines 37 and 58 (15 and 36 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
5ki9
Structure name
crystal structure of human beta-defensin 4 (hbd4)
Structure deposition date
2016-06-16
Thiol separation (Å)
8
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8WTQ1
Residue number A
37
Residue number B
58
Peptide name
Beta-defensin 104

Ligandability

Cysteine 37 of Beta-defensin 104

Cysteine 58 of Beta-defensin 104

A redox-regulated disulphide may form within Beta-defensin 104 between cysteines 37 and 41 (15 and 19 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
5ki9
Structure name
crystal structure of human beta-defensin 4 (hbd4)
Structure deposition date
2016-06-16
Thiol separation (Å)
10
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8WTQ1
Residue number A
37
Residue number B
41
Peptide name
Beta-defensin 104

Ligandability

Cysteine 37 of Beta-defensin 104

Cysteine 41 of Beta-defensin 104

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