ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Neuregulin 1

Intramolecular
Cysteine 237 and cysteine 251
Cysteine 267 and cysteine 276
Cysteine 245 and cysteine 265
Cysteine 245 and cysteine 251
Cysteine 265 and cysteine 276
Cysteine 245 and cysteine 276
Cysteine 237 and cysteine 245
Cysteine 251 and cysteine 265
Cysteine 265 and cysteine 267
Cysteine 245 and cysteine 267
More...
Cysteine 237 and cysteine 265
Cysteine 251 and cysteine 276
A redox-regulated disulphide may form within Neuregulin 1 between cysteines 237 and 251 (8 and 22 respectively in this structure).

Details

Redox score ?
86
PDB code
3u7u
Structure name
crystal structure of extracellular region of human epidermal growth factor receptor 4 in complex with neuregulin-1 beta
Structure deposition date
2011-10-14
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q96IB3
Residue number A
237
Residue number B
251
Peptide name
Neuregulin 1

Ligandability

Cysteine 237 of Neuregulin 1

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 251 of Neuregulin 1

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 Neuregulin 1 between cysteines 267 and 276 (38 and 47 respectively in this structure).

Details

Redox score ?
83
PDB code
3u7u
Structure name
crystal structure of extracellular region of human epidermal growth factor receptor 4 in complex with neuregulin-1 beta
Structure deposition date
2011-10-14
Thiol separation (Å)
2
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q96IB3
Residue number A
267
Residue number B
276
Peptide name
Neuregulin 1

Ligandability

Cysteine 267 of Neuregulin 1

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 276 of Neuregulin 1

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 Neuregulin 1 between cysteines 245 and 265 (16 and 36 respectively in this structure).

Details

Redox score ?
82
PDB code
3u7u
Structure name
crystal structure of extracellular region of human epidermal growth factor receptor 4 in complex with neuregulin-1 beta
Structure deposition date
2011-10-14
Thiol separation (Å)
2
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q96IB3
Residue number A
245
Residue number B
265
Peptide name
Neuregulin 1

Ligandability

Cysteine 245 of Neuregulin 1

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 265 of Neuregulin 1

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 Neuregulin 1 between cysteines 245 and 251 (16 and 22 respectively in this structure).

Details

Redox score ?
69
PDB code
3u7u
Structure name
crystal structure of extracellular region of human epidermal growth factor receptor 4 in complex with neuregulin-1 beta
Structure deposition date
2011-10-14
Thiol separation (Å)
4
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q96IB3
Residue number A
245
Residue number B
251
Peptide name
Neuregulin 1

Ligandability

Cysteine 245 of Neuregulin 1

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 251 of Neuregulin 1

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 Neuregulin 1 between cysteines 265 and 276 (36 and 47 respectively in this structure).

Details

Redox score ?
66
PDB code
3u7u
Structure name
crystal structure of extracellular region of human epidermal growth factor receptor 4 in complex with neuregulin-1 beta
Structure deposition date
2011-10-14
Thiol separation (Å)
5
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q96IB3
Residue number A
265
Residue number B
276
Peptide name
Neuregulin 1

Ligandability

Cysteine 265 of Neuregulin 1

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 276 of Neuregulin 1

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 Neuregulin 1 between cysteines 245 and 276 (16 and 47 respectively in this structure).

Details

Redox score ?
64
PDB code
3u7u
Structure name
crystal structure of extracellular region of human epidermal growth factor receptor 4 in complex with neuregulin-1 beta
Structure deposition date
2011-10-14
Thiol separation (Å)
5
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q96IB3
Residue number A
245
Residue number B
276
Peptide name
Neuregulin 1

Ligandability

Cysteine 245 of Neuregulin 1

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 276 of Neuregulin 1

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 Neuregulin 1 between cysteines 237 and 245 (8 and 16 respectively in this structure).

Details

Redox score ?
63
PDB code
3u7u
Structure name
crystal structure of extracellular region of human epidermal growth factor receptor 4 in complex with neuregulin-1 beta
Structure deposition date
2011-10-14
Thiol separation (Å)
6
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q96IB3
Residue number A
237
Residue number B
245
Peptide name
Neuregulin 1

Ligandability

Cysteine 237 of Neuregulin 1

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 245 of Neuregulin 1

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 Neuregulin 1 between cysteines 251 and 265 (22 and 36 respectively in this structure).

Details

Redox score ?
60
PDB code
3u7u
Structure name
crystal structure of extracellular region of human epidermal growth factor receptor 4 in complex with neuregulin-1 beta
Structure deposition date
2011-10-14
Thiol separation (Å)
5
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q96IB3
Residue number A
251
Residue number B
265
Peptide name
Neuregulin 1

Ligandability

Cysteine 251 of Neuregulin 1

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 265 of Neuregulin 1

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 Neuregulin 1 between cysteines 265 and 267 (36 and 38 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
3u7u
Structure name
crystal structure of extracellular region of human epidermal growth factor receptor 4 in complex with neuregulin-1 beta
Structure deposition date
2011-10-14
Thiol separation (Å)
6
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q96IB3
Residue number A
265
Residue number B
267
Peptide name
Neuregulin 1

Ligandability

Cysteine 265 of Neuregulin 1

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 267 of Neuregulin 1

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 Neuregulin 1 between cysteines 245 and 267 (16 and 38 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
3u7u
Structure name
crystal structure of extracellular region of human epidermal growth factor receptor 4 in complex with neuregulin-1 beta
Structure deposition date
2011-10-14
Thiol separation (Å)
7
Half-sphere exposure sum ?
71
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q96IB3
Residue number A
245
Residue number B
267
Peptide name
Neuregulin 1

Ligandability

Cysteine 245 of Neuregulin 1

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 267 of Neuregulin 1

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 Neuregulin 1 between cysteines 237 and 265 (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 ?
55
PDB code
3u7u
Structure name
crystal structure of extracellular region of human epidermal growth factor receptor 4 in complex with neuregulin-1 beta
Structure deposition date
2011-10-14
Thiol separation (Å)
7
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q96IB3
Residue number A
237
Residue number B
265
Peptide name
Neuregulin 1

Ligandability

Cysteine 237 of Neuregulin 1

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 265 of Neuregulin 1

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 Neuregulin 1 between cysteines 251 and 276 (22 and 47 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
3u7u
Structure name
crystal structure of extracellular region of human epidermal growth factor receptor 4 in complex with neuregulin-1 beta
Structure deposition date
2011-10-14
Thiol separation (Å)
10
Half-sphere exposure sum ?
71
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q96IB3
Residue number A
251
Residue number B
276
Peptide name
Neuregulin 1

Ligandability

Cysteine 251 of Neuregulin 1

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 276 of Neuregulin 1

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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