ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Hypocretin neuropeptide precursor

Intramolecular
Cysteine 40 and cysteine 47
Cysteine 39 and cysteine 45
Cysteine 39 and cysteine 40
Cysteine 45 and cysteine 47
Cysteine 39 and cysteine 47
Cysteine 40 and cysteine 45
A redox-regulated disulphide may form within Hypocretin neuropeptide precursor between cysteines 40 and 47 (7 and 14 respectively in this structure).

Details

Redox score ?
87
PDB code
1r02
Structure name
solution structure of human orexin-a:regulator of appetite and wakefulness
Structure deposition date
2003-09-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
33
Minimum pKa ?
nan
% buried
nan
Peptide accession
O43612
Residue number A
40
Residue number B
47
Peptide name
Hypocretin neuropeptide precursor

Ligandability

Cysteine 40 of Hypocretin neuropeptide precursor

Cysteine 47 of Hypocretin neuropeptide precursor

A redox-regulated disulphide may form within Hypocretin neuropeptide precursor between cysteines 39 and 45 (6 and 12 respectively in this structure).

Details

Redox score ?
86
PDB code
1wso
Structure name
the solution structures of human orexin-a
Structure deposition date
2004-11-08
Thiol separation (Å)
2
Half-sphere exposure sum ?
27
Minimum pKa ?
nan
% buried
nan
Peptide accession
O43612
Residue number A
39
Residue number B
45
Peptide name
Hypocretin neuropeptide precursor

Ligandability

Cysteine 39 of Hypocretin neuropeptide precursor

Cysteine 45 of Hypocretin neuropeptide precursor

A redox-regulated disulphide may form within Hypocretin neuropeptide precursor between cysteines 39 and 40 (6 and 7 respectively in this structure).

Details

Redox score ?
62
PDB code
1r02
Structure name
solution structure of human orexin-a:regulator of appetite and wakefulness
Structure deposition date
2003-09-19
Thiol separation (Å)
7
Half-sphere exposure sum ?
30
Minimum pKa ?
nan
% buried
nan
Peptide accession
O43612
Residue number A
39
Residue number B
40
Peptide name
Hypocretin neuropeptide precursor

Ligandability

Cysteine 39 of Hypocretin neuropeptide precursor

Cysteine 40 of Hypocretin neuropeptide precursor

A redox-regulated disulphide may form within Hypocretin neuropeptide precursor between cysteines 45 and 47 (12 and 14 respectively in this structure).

Details

Redox score ?
60
PDB code
1r02
Structure name
solution structure of human orexin-a:regulator of appetite and wakefulness
Structure deposition date
2003-09-19
Thiol separation (Å)
7
Half-sphere exposure sum ?
33
Minimum pKa ?
nan
% buried
nan
Peptide accession
O43612
Residue number A
45
Residue number B
47
Peptide name
Hypocretin neuropeptide precursor

Ligandability

Cysteine 45 of Hypocretin neuropeptide precursor

Cysteine 47 of Hypocretin neuropeptide precursor

A redox-regulated disulphide may form within Hypocretin neuropeptide precursor between cysteines 39 and 47 (6 and 14 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
1r02
Structure name
solution structure of human orexin-a:regulator of appetite and wakefulness
Structure deposition date
2003-09-19
Thiol separation (Å)
8
Half-sphere exposure sum ?
31
Minimum pKa ?
nan
% buried
nan
Peptide accession
O43612
Residue number A
39
Residue number B
47
Peptide name
Hypocretin neuropeptide precursor

Ligandability

Cysteine 39 of Hypocretin neuropeptide precursor

Cysteine 47 of Hypocretin neuropeptide precursor

A redox-regulated disulphide may form within Hypocretin neuropeptide precursor between cysteines 40 and 45 (7 and 12 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
1wso
Structure name
the solution structures of human orexin-a
Structure deposition date
2004-11-08
Thiol separation (Å)
9
Half-sphere exposure sum ?
28
Minimum pKa ?
nan
% buried
nan
Peptide accession
O43612
Residue number A
40
Residue number B
45
Peptide name
Hypocretin neuropeptide precursor

Ligandability

Cysteine 40 of Hypocretin neuropeptide precursor

Cysteine 45 of Hypocretin neuropeptide precursor

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