ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Endothelin-1

Intermolecular
Cysteine 53 and cysteine 53
Cysteine 67 and cysteine 67
Cysteine 53 and cysteine 55
Cysteine 63 and cysteine 63
Cysteine 63 and cysteine 55
Cysteine 53 and cysteine 67
Cysteine 55 and cysteine 55
Intramolecular
Cysteine 63 and cysteine 67
Cysteine 55 and cysteine 67
Cysteine 53 and cysteine 63
A redox-regulated disulphide may form between two units of Endothelin-1 at cysteines 53 and 53 (3 and 3 respectively in this structure).

Details

Redox score ?
74
PDB code
1t7h
Structure name
x-ray structure of [lys(-2)-arg(-1)-des(17-21)]-endothelin-1 peptide
Structure deposition date
2004-05-10
Thiol separation (Å)
4
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide A name
Endothelin-1
Peptide B name
Endothelin-1
Peptide A accession
P05305
Peptide B accession
P05305
Peptide A residue number
53
Peptide B residue number
53

Ligandability

A redox-regulated disulphide may form between two units of Endothelin-1 at cysteines 67 and 67 (17 and 17 respectively in this structure).

Details

Redox score ?
73
PDB code
1t7h
Structure name
x-ray structure of [lys(-2)-arg(-1)-des(17-21)]-endothelin-1 peptide
Structure deposition date
2004-05-10
Thiol separation (Å)
5
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide A name
Endothelin-1
Peptide B name
Endothelin-1
Peptide A accession
P05305
Peptide B accession
P05305
Peptide A residue number
67
Peptide B residue number
67

Ligandability

A redox-regulated disulphide may form between two units of Endothelin-1 at cysteines 53 and 55 (3 and 5 respectively in this structure).

Details

Redox score ?
69
PDB code
1t7h
Structure name
x-ray structure of [lys(-2)-arg(-1)-des(17-21)]-endothelin-1 peptide
Structure deposition date
2004-05-10
Thiol separation (Å)
5
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide A name
Endothelin-1
Peptide B name
Endothelin-1
Peptide A accession
P05305
Peptide B accession
P05305
Peptide A residue number
53
Peptide B residue number
55

Ligandability

Cysteine 53 of Endothelin-1

Cysteine 55 of Endothelin-1

A redox-regulated disulphide may form between two units of Endothelin-1 at cysteines 63 and 63 (13 and 13 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
1t7h
Structure name
x-ray structure of [lys(-2)-arg(-1)-des(17-21)]-endothelin-1 peptide
Structure deposition date
2004-05-10
Thiol separation (Å)
8
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide A name
Endothelin-1
Peptide B name
Endothelin-1
Peptide A accession
P05305
Peptide B accession
P05305
Peptide A residue number
63
Peptide B residue number
63

Ligandability

A redox-regulated disulphide may form between two units of Endothelin-1 at cysteines 63 and 55 (13 and 5 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
1t7h
Structure name
x-ray structure of [lys(-2)-arg(-1)-des(17-21)]-endothelin-1 peptide
Structure deposition date
2004-05-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide A name
Endothelin-1
Peptide B name
Endothelin-1
Peptide A accession
P05305
Peptide B accession
P05305
Peptide A residue number
63
Peptide B residue number
55

Ligandability

Cysteine 63 of Endothelin-1

Cysteine 55 of Endothelin-1

A redox-regulated disulphide may form between two units of Endothelin-1 at cysteines 53 and 67 (1 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 ?
43
PDB code
6dk5
Structure name
the x-ray crystal structure of human endothelin-1, a polypeptide hormone regulator of blood pressure
Structure deposition date
2018-05-28
Thiol separation (Å)
10
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Endothelin-1
Peptide B name
Endothelin-1
Peptide A accession
P05305
Peptide B accession
P05305
Peptide A residue number
53
Peptide B residue number
67

Ligandability

Cysteine 53 of Endothelin-1

Cysteine 67 of Endothelin-1

A redox-regulated disulphide may form between two units of Endothelin-1 at cysteines 55 and 55 (5 and 5 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
1t7h
Structure name
x-ray structure of [lys(-2)-arg(-1)-des(17-21)]-endothelin-1 peptide
Structure deposition date
2004-05-10
Thiol separation (Å)
10
Half-sphere exposure sum ?
54
Minimum pKa ?
nan
% buried
nan
Peptide A name
Endothelin-1
Peptide B name
Endothelin-1
Peptide A accession
P05305
Peptide B accession
P05305
Peptide A residue number
55
Peptide B residue number
55

Ligandability

A redox-regulated disulphide may form within Endothelin-1 between cysteines 63 and 67 (11 and 15 respectively in this structure).

Details

Redox score ?
80
PDB code
1edn
Structure name
human endothelin-1
Structure deposition date
1994-09-19
Thiol separation (Å)
4
Half-sphere exposure sum ?
36
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05305
Residue number A
63
Residue number B
67
Peptide name
Endothelin-1

Ligandability

Cysteine 63 of Endothelin-1

Cysteine 67 of Endothelin-1

A redox-regulated disulphide may form within Endothelin-1 between cysteines 55 and 67 (5 and 17 respectively in this structure).

Details

Redox score ?
78
PDB code
1t7h
Structure name
x-ray structure of [lys(-2)-arg(-1)-des(17-21)]-endothelin-1 peptide
Structure deposition date
2004-05-10
Thiol separation (Å)
4
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05305
Residue number A
55
Residue number B
67
Peptide name
Endothelin-1

Ligandability

Cysteine 55 of Endothelin-1

Cysteine 67 of Endothelin-1

A redox-regulated disulphide may form within Endothelin-1 between cysteines 53 and 63 (1 and 11 respectively in this structure).

Details

Redox score ?
72
PDB code
1edn
Structure name
human endothelin-1
Structure deposition date
1994-09-19
Thiol separation (Å)
5
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05305
Residue number A
53
Residue number B
63
Peptide name
Endothelin-1

Ligandability

Cysteine 53 of Endothelin-1

Cysteine 63 of Endothelin-1

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