ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Corticotropin-releasing factor receptor 1

Intermolecular
Cysteine 128 and cysteine 128
Cysteine 393 and cysteine 262
Intramolecular
Cysteine 68 and cysteine 102
Cysteine 217 and cysteine 287
Cysteine 44 and cysteine 87
Cysteine 30 and cysteine 54
A redox-regulated disulphide may form between two units of Corticotropin-releasing factor receptor 1 at cysteines 128 and 128. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
4k5y
Structure name
crystal structure of human corticotropin-releasing factor receptor 1 (crf1r) in complex with the antagonist cp-376395
Structure deposition date
2013-04-15
Thiol separation (Å)
8
Half-sphere exposure sum ?
65
Minimum pKa ?
11
% buried
68
Peptide A name
Corticotropin-releasing factor receptor 1
Peptide B name
Corticotropin-releasing factor receptor 1
Peptide A accession
P34998
Peptide B accession
P34998
Peptide A residue number
128
Peptide B residue number
128

Ligandability

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 between two units of Corticotropin-releasing factor receptor 1 at cysteines 393 and 262 (364 and 233 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
4z9g
Structure name
crystal structure of human corticotropin-releasing factor receptor 1 (crf1r) in complex with the antagonist cp-376395 in a hexagonal setting with translational non-crystallographic symmetry
Structure deposition date
2015-04-10
Thiol separation (Å)
8
Half-sphere exposure sum ?
67
Minimum pKa ?
12
% buried
96
Peptide A name
Corticotropin-releasing factor receptor 1
Peptide B name
Corticotropin-releasing factor receptor 1
Peptide A accession
P34998
Peptide B accession
P34998
Peptide A residue number
393
Peptide B residue number
262

Ligandability

Cysteine 393 of Corticotropin-releasing factor receptor 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 262 of Corticotropin-releasing factor receptor 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 Corticotropin-releasing factor receptor 1 between cysteines 68 and 102.

Details

Redox score ?
87
PDB code
3ehs
Structure name
crystal structure of the extracellular domain of human corticotropin releasing factor receptor type 1 (crfr1)
Structure deposition date
2008-09-14
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
P34998
Residue number A
68
Residue number B
102
Peptide name
Corticotropin-releasing factor receptor 1

Ligandability

Cysteine 68 of Corticotropin-releasing factor receptor 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 102 of Corticotropin-releasing factor receptor 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 Corticotropin-releasing factor receptor 1 between cysteines 217 and 287 (188 and 258 respectively in this structure).

Details

Redox score ?
86
PDB code
4k5y
Structure name
crystal structure of human corticotropin-releasing factor receptor 1 (crf1r) in complex with the antagonist cp-376395
Structure deposition date
2013-04-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
P34998
Residue number A
217
Residue number B
287
Peptide name
Corticotropin-releasing factor receptor 1

Ligandability

Cysteine 217 of Corticotropin-releasing factor receptor 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 287 of Corticotropin-releasing factor receptor 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 Corticotropin-releasing factor receptor 1 between cysteines 44 and 87.

Details

Redox score ?
85
PDB code
3eht
Structure name
crystal structure of the extracellular domain of human corticotropin releasing factor receptor type 1 (crfr1) in complex with crf
Structure deposition date
2008-09-14
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
P34998
Residue number A
44
Residue number B
87
Peptide name
Corticotropin-releasing factor receptor 1

Ligandability

Cysteine 44 of Corticotropin-releasing factor receptor 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 87 of Corticotropin-releasing factor receptor 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 Corticotropin-releasing factor receptor 1 between cysteines 30 and 54.

Details

Redox score ?
83
PDB code
3ehu
Structure name
crystal structure of the extracellular domain of human corticotropin releasing factor receptor type 1 (crfr1) in complex with crf
Structure deposition date
2008-09-14
Thiol separation (Å)
2
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide accession
P34998
Residue number A
30
Residue number B
54
Peptide name
Corticotropin-releasing factor receptor 1

Ligandability

Cysteine 30 of Corticotropin-releasing factor receptor 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 54 of Corticotropin-releasing factor receptor 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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