ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Mesencephalic astrocyte-derived neurotrophic factor

Intramolecular
Cysteine 151 and cysteine 154
Cysteine 64 and cysteine 75
Cysteine 30 and cysteine 117
Cysteine 33 and cysteine 106
Cysteine 30 and cysteine 33
Cysteine 30 and cysteine 106
Cysteine 30 and cysteine 114
Cysteine 103 and cysteine 114
Cysteine 75 and cysteine 106
Cysteine 33 and cysteine 75
A redox-regulated disulphide may form within Mesencephalic astrocyte-derived neurotrophic factor between cysteines 151 and 154 (127 and 130 respectively in this structure).

Details

Redox score ?
89
PDB code
2w51
Structure name
human mesencephalic astrocyte-derived neurotrophic factor (manf)
Structure deposition date
2008-12-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
40
Minimum pKa ?
nan
% buried
nan
Peptide accession
P55145
Residue number A
151
Residue number B
154
Peptide name
Mesencephalic astrocyte-derived neurotrophic factor

Ligandability

Cysteine 151 of Mesencephalic astrocyte-derived neurotrophic factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 154 of Mesencephalic astrocyte-derived neurotrophic factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Mesencephalic astrocyte-derived neurotrophic factor between cysteines 64 and 75 (40 and 51 respectively in this structure).

Details

Redox score ?
85
PDB code
2w51
Structure name
human mesencephalic astrocyte-derived neurotrophic factor (manf)
Structure deposition date
2008-12-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
P55145
Residue number A
64
Residue number B
75
Peptide name
Mesencephalic astrocyte-derived neurotrophic factor

Ligandability

Cysteine 64 of Mesencephalic astrocyte-derived neurotrophic factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 75 of Mesencephalic astrocyte-derived neurotrophic factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Mesencephalic astrocyte-derived neurotrophic factor between cysteines 30 and 117 (6 and 93 respectively in this structure).

Details

Redox score ?
85
PDB code
2w51
Structure name
human mesencephalic astrocyte-derived neurotrophic factor (manf)
Structure deposition date
2008-12-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
P55145
Residue number A
30
Residue number B
117
Peptide name
Mesencephalic astrocyte-derived neurotrophic factor

Ligandability

Cysteine 30 of Mesencephalic astrocyte-derived neurotrophic factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 117 of Mesencephalic astrocyte-derived neurotrophic factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Mesencephalic astrocyte-derived neurotrophic factor between cysteines 33 and 106 (9 and 82 respectively in this structure).

Details

Redox score ?
81
PDB code
2w51
Structure name
human mesencephalic astrocyte-derived neurotrophic factor (manf)
Structure deposition date
2008-12-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
P55145
Residue number A
33
Residue number B
106
Peptide name
Mesencephalic astrocyte-derived neurotrophic factor

Ligandability

Cysteine 33 of Mesencephalic astrocyte-derived neurotrophic factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 106 of Mesencephalic astrocyte-derived neurotrophic factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Mesencephalic astrocyte-derived neurotrophic factor between cysteines 30 and 33 (6 and 9 respectively in this structure).

Details

Redox score ?
65
PDB code
2w51
Structure name
human mesencephalic astrocyte-derived neurotrophic factor (manf)
Structure deposition date
2008-12-03
Thiol separation (Å)
5
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
P55145
Residue number A
30
Residue number B
33
Peptide name
Mesencephalic astrocyte-derived neurotrophic factor

Ligandability

Cysteine 30 of Mesencephalic astrocyte-derived neurotrophic factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 33 of Mesencephalic astrocyte-derived neurotrophic factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Mesencephalic astrocyte-derived neurotrophic factor between cysteines 30 and 106 (6 and 82 respectively in this structure).

Details

Redox score ?
65
PDB code
2w51
Structure name
human mesencephalic astrocyte-derived neurotrophic factor (manf)
Structure deposition date
2008-12-03
Thiol separation (Å)
5
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
P55145
Residue number A
30
Residue number B
106
Peptide name
Mesencephalic astrocyte-derived neurotrophic factor

Ligandability

Cysteine 30 of Mesencephalic astrocyte-derived neurotrophic factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 106 of Mesencephalic astrocyte-derived neurotrophic factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Mesencephalic astrocyte-derived neurotrophic factor between cysteines 30 and 114.

Details

Redox score ?
63
PDB code
6ha7
Structure name
crystal structure of the bip nbd and manf complex
Structure deposition date
2018-08-07
Thiol separation (Å)
5
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9CXI5
Residue number A
30
Residue number B
114
Peptide name
Mesencephalic astrocyte-derived neurotrophic factor

Ligandability

Cysteine 30 of Mesencephalic astrocyte-derived neurotrophic factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 114 of Mesencephalic astrocyte-derived neurotrophic factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Mesencephalic astrocyte-derived neurotrophic factor between cysteines 103 and 114.

Details

Redox score ?
63
PDB code
6ha7
Structure name
crystal structure of the bip nbd and manf complex
Structure deposition date
2018-08-07
Thiol separation (Å)
5
Half-sphere exposure sum ?
79
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9CXI5
Residue number A
103
Residue number B
114
Peptide name
Mesencephalic astrocyte-derived neurotrophic factor

Ligandability

Cysteine 103 of Mesencephalic astrocyte-derived neurotrophic factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 114 of Mesencephalic astrocyte-derived neurotrophic factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Mesencephalic astrocyte-derived neurotrophic factor between cysteines 75 and 106 (51 and 82 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
2kvd
Structure name
mesencephalic astrocyte-derived neurotrophic factor (manf)
Structure deposition date
2010-03-12
Thiol separation (Å)
9
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide accession
P55145
Residue number A
75
Residue number B
106
Peptide name
Mesencephalic astrocyte-derived neurotrophic factor

Ligandability

Cysteine 75 of Mesencephalic astrocyte-derived neurotrophic factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 106 of Mesencephalic astrocyte-derived neurotrophic factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Mesencephalic astrocyte-derived neurotrophic factor between cysteines 33 and 75 (9 and 51 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
2kvd
Structure name
mesencephalic astrocyte-derived neurotrophic factor (manf)
Structure deposition date
2010-03-12
Thiol separation (Å)
10
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
P55145
Residue number A
33
Residue number B
75
Peptide name
Mesencephalic astrocyte-derived neurotrophic factor

Ligandability

Cysteine 33 of Mesencephalic astrocyte-derived neurotrophic factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 75 of Mesencephalic astrocyte-derived neurotrophic factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

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