ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Neutrophil defensin 3

Intermolecular
Cysteine 83 and cysteine 83
Cysteine 68 and cysteine 83
Cysteine 68 and cysteine 68
Cysteine 94 and cysteine 68
Cysteine 66 and cysteine 66
Cysteine 66 and cysteine 68
Cysteine 94 and cysteine 83
Cysteine 83 and cysteine 66
Cysteine 94 and cysteine 66
A redox-regulated disulphide may form between two units of Neutrophil defensin 3 at cysteines 83 and 83 (18 and 18 respectively in this structure).

Details

Redox score ?
72
PDB code
1zmh
Structure name
crystal structure of human neutrophil peptide 2, hnp-2 (variant gly16- > d-ala)
Structure deposition date
2005-05-10
Thiol separation (Å)
4
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide A name
Neutrophil defensin 3
Peptide B name
Neutrophil defensin 3
Peptide A accession
P59666
Peptide B accession
P59666
Peptide A residue number
83
Peptide B residue number
83

Ligandability

A redox-regulated disulphide may form between two units of Neutrophil defensin 3 at cysteines 68 and 83 (3 and 18 respectively in this structure).

Details

Redox score ?
65
PDB code
1zmh
Structure name
crystal structure of human neutrophil peptide 2, hnp-2 (variant gly16- > d-ala)
Structure deposition date
2005-05-10
Thiol separation (Å)
5
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide A name
Neutrophil defensin 3
Peptide B name
Neutrophil defensin 3
Peptide A accession
P59666
Peptide B accession
P59666
Peptide A residue number
68
Peptide B residue number
83

Ligandability

Cysteine 68 of Neutrophil defensin 3

Cysteine 83 of Neutrophil defensin 3

A redox-regulated disulphide may form between two units of Neutrophil defensin 3 at cysteines 68 and 68 (3 and 3 respectively in this structure).

Details

Redox score ?
60
PDB code
1zmi
Structure name
crystal structure of human alpha_defensin-2 (variant gly16->d-ala), p 32 2 1 space group )
Structure deposition date
2005-05-10
Thiol separation (Å)
6
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide A name
Neutrophil defensin 3
Peptide B name
Neutrophil defensin 3
Peptide A accession
P59666
Peptide B accession
P59666
Peptide A residue number
68
Peptide B residue number
68

Ligandability

A redox-regulated disulphide may form between two units of Neutrophil defensin 3 at cysteines 94 and 68 (29 and 3 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
1zmi
Structure name
crystal structure of human alpha_defensin-2 (variant gly16->d-ala), p 32 2 1 space group )
Structure deposition date
2005-05-10
Thiol separation (Å)
7
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Neutrophil defensin 3
Peptide B name
Neutrophil defensin 3
Peptide A accession
P59666
Peptide B accession
P59666
Peptide A residue number
94
Peptide B residue number
68

Ligandability

Cysteine 94 of Neutrophil defensin 3

Cysteine 68 of Neutrophil defensin 3

A redox-regulated disulphide may form between two units of Neutrophil defensin 3 at cysteines 66 and 66 (1 and 1 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
1zmk
Structure name
crystal structure of human alpha-defensin-2 (variant gly16-> d-ala), p 42 21 2 space group
Structure deposition date
2005-05-10
Thiol separation (Å)
8
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Neutrophil defensin 3
Peptide B name
Neutrophil defensin 3
Peptide A accession
P59666
Peptide B accession
P59666
Peptide A residue number
66
Peptide B residue number
66

Ligandability

A redox-regulated disulphide may form between two units of Neutrophil defensin 3 at cysteines 66 and 68 (1 and 3 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
1zmh
Structure name
crystal structure of human neutrophil peptide 2, hnp-2 (variant gly16- > d-ala)
Structure deposition date
2005-05-10
Thiol separation (Å)
8
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Neutrophil defensin 3
Peptide B name
Neutrophil defensin 3
Peptide A accession
P59666
Peptide B accession
P59666
Peptide A residue number
66
Peptide B residue number
68

Ligandability

Cysteine 66 of Neutrophil defensin 3

Cysteine 68 of Neutrophil defensin 3

A redox-regulated disulphide may form between two units of Neutrophil defensin 3 at cysteines 94 and 83 (29 and 18 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
1zmi
Structure name
crystal structure of human alpha_defensin-2 (variant gly16->d-ala), p 32 2 1 space group )
Structure deposition date
2005-05-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Neutrophil defensin 3
Peptide B name
Neutrophil defensin 3
Peptide A accession
P59666
Peptide B accession
P59666
Peptide A residue number
94
Peptide B residue number
83

Ligandability

Cysteine 94 of Neutrophil defensin 3

Cysteine 83 of Neutrophil defensin 3

A redox-regulated disulphide may form between two units of Neutrophil defensin 3 at cysteines 83 and 66 (18 and 1 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
1zmi
Structure name
crystal structure of human alpha_defensin-2 (variant gly16->d-ala), p 32 2 1 space group )
Structure deposition date
2005-05-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Neutrophil defensin 3
Peptide B name
Neutrophil defensin 3
Peptide A accession
P59666
Peptide B accession
P59666
Peptide A residue number
83
Peptide B residue number
66

Ligandability

Cysteine 83 of Neutrophil defensin 3

Cysteine 66 of Neutrophil defensin 3

A redox-regulated disulphide may form between two units of Neutrophil defensin 3 at cysteines 94 and 66 (29 and 1 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
1zmi
Structure name
crystal structure of human alpha_defensin-2 (variant gly16->d-ala), p 32 2 1 space group )
Structure deposition date
2005-05-10
Thiol separation (Å)
10
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Neutrophil defensin 3
Peptide B name
Neutrophil defensin 3
Peptide A accession
P59666
Peptide B accession
P59666
Peptide A residue number
94
Peptide B residue number
66

Ligandability

Cysteine 94 of Neutrophil defensin 3

Cysteine 66 of Neutrophil defensin 3

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