ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Home
About
List

Melanocortin receptor 4

Intramolecular
Cysteine 271 and cysteine 277
Cysteine 40 and cysteine 279
Cysteine 138 and cysteine 177
Cysteine 318 and cysteine 319
Cysteine 257 and cysteine 293
Cysteine 172 and cysteine 177
Cysteine 277 and cysteine 279
Cysteine 130 and cysteine 196
Cysteine 130 and cysteine 177
A redox-regulated disulphide may form within Melanocortin receptor 4 between cysteines 271 and 277.

Details

Redox score ?
87
PDB code
6w25
Structure name
crystal structure of the melanocortin-4 receptor (mc4r) in complex with shu9119
Structure deposition date
2020-03-04
Thiol separation (Å)
2
Half-sphere exposure sum ?
41
Minimum pKa ?
nan
% buried
nan
Peptide accession
P32245
Residue number A
271
Residue number B
277
Peptide name
Melanocortin receptor 4

Ligandability

Cysteine 271 of Melanocortin receptor 4

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 277 of Melanocortin receptor 4

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 Melanocortin receptor 4 between cysteines 40 and 279.

Details

Redox score ?
86
PDB code
7f53
Structure name
cryo-em structure of a-msh-mc4r-gs_nb35 complex
Structure deposition date
2021-06-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
41
Minimum pKa ?
nan
% buried
nan
Peptide accession
P32245
Residue number A
40
Residue number B
279
Peptide name
Melanocortin receptor 4

Ligandability

Cysteine 40 of Melanocortin receptor 4

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 279 of Melanocortin receptor 4

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 Melanocortin receptor 4 between cysteines 138 and 177.

Details

Redox score ?
77
PDB code
6w25
Structure name
crystal structure of the melanocortin-4 receptor (mc4r) in complex with shu9119
Structure deposition date
2020-03-04
Thiol separation (Å)
4
Half-sphere exposure sum ?
66
Minimum pKa ?
7
% buried
64
Peptide accession
P32245
Residue number A
138
Residue number B
177
Peptide name
Melanocortin receptor 4

Ligandability

Cysteine 138 of Melanocortin receptor 4

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 177 of Melanocortin receptor 4

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 Melanocortin receptor 4 between cysteines 318 and 319. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
59
PDB code
6w25
Structure name
crystal structure of the melanocortin-4 receptor (mc4r) in complex with shu9119
Structure deposition date
2020-03-04
Thiol separation (Å)
7
Half-sphere exposure sum ?
29
Minimum pKa ?
9
% buried
0
Peptide accession
P32245
Residue number A
318
Residue number B
319
Peptide name
Melanocortin receptor 4

Ligandability

Cysteine 318 of Melanocortin receptor 4

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 319 of Melanocortin receptor 4

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 Melanocortin receptor 4 between cysteines 257 and 293. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
6w25
Structure name
crystal structure of the melanocortin-4 receptor (mc4r) in complex with shu9119
Structure deposition date
2020-03-04
Thiol separation (Å)
6
Half-sphere exposure sum ?
66
Minimum pKa ?
10
% buried
58
Peptide accession
P32245
Residue number A
257
Residue number B
293
Peptide name
Melanocortin receptor 4

Ligandability

Cysteine 257 of Melanocortin receptor 4

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 293 of Melanocortin receptor 4

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 Melanocortin receptor 4 between cysteines 172 and 177. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
7piu
Structure name
cryo-em structure of the agonist setmelanotide bound to the active melanocortin-4 receptor (mc4r) in complex with the heterotrimeric gs protein at 2
Structure deposition date
2021-08-23
Thiol separation (Å)
10
Half-sphere exposure sum ?
50
Minimum pKa ?
9
% buried
30
Peptide accession
P32245
Residue number A
172
Residue number B
177
Peptide name
Melanocortin receptor 4

Ligandability

Cysteine 172 of Melanocortin receptor 4

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 177 of Melanocortin receptor 4

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 Melanocortin receptor 4 between cysteines 277 and 279. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
7f58
Structure name
cryo-em structure of thiq-mc4r-gs_nb35 complex
Structure deposition date
2021-06-21
Thiol separation (Å)
10
Half-sphere exposure sum ?
46
Minimum pKa ?
nan
% buried
nan
Peptide accession
P32245
Residue number A
277
Residue number B
279
Peptide name
Melanocortin receptor 4

Ligandability

Cysteine 277 of Melanocortin receptor 4

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 279 of Melanocortin receptor 4

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 Melanocortin receptor 4 between cysteines 130 and 196. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
6w25
Structure name
crystal structure of the melanocortin-4 receptor (mc4r) in complex with shu9119
Structure deposition date
2020-03-04
Thiol separation (Å)
9
Half-sphere exposure sum ?
63
Minimum pKa ?
10
% buried
63
Peptide accession
P32245
Residue number A
130
Residue number B
196
Peptide name
Melanocortin receptor 4

Ligandability

Cysteine 130 of Melanocortin receptor 4

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 196 of Melanocortin receptor 4

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 Melanocortin receptor 4 between cysteines 130 and 177. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
6w25
Structure name
crystal structure of the melanocortin-4 receptor (mc4r) in complex with shu9119
Structure deposition date
2020-03-04
Thiol separation (Å)
9
Half-sphere exposure sum ?
71
Minimum pKa ?
13
% buried
78
Peptide accession
P32245
Residue number A
130
Residue number B
177
Peptide name
Melanocortin receptor 4

Ligandability

Cysteine 130 of Melanocortin receptor 4

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 177 of Melanocortin receptor 4

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.

If this tool was useful for finding a disulphide, please cite: