a tool for identifying drug-targetable redox-active disulphides

Adrenocorticotropic hormone receptor

Intramolecular

Cysteine 21 and cysteine 253

Cysteine 245 and cysteine 251

Cysteine 231 and cysteine 267

Cysteine 251 and cysteine 253

A redox-regulated disulphide may form within Adrenocorticotropic hormone receptor between cysteines 21 and 253.

Details

Redox score ?

84

PDB code

Structure name

cryo-em structure of acth-bound melanocortin-2 receptor in complex with mrap1 and gs protein

Structure deposition date

2022-09-21

Thiol separation (Å)

2

Half-sphere exposure sum ?

63

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

21

Residue number B

253

Peptide name

Adrenocorticotropic hormone receptor

Ligandability

Cysteine 21 of Adrenocorticotropic hormone receptor

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 253 of Adrenocorticotropic hormone receptor

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 Adrenocorticotropic hormone receptor between cysteines 245 and 251.

Details

Redox score ?

80

PDB code

Structure name

cryo-em structure of acth-bound melanocortin-2 receptor in complex with mrap1 and gs protein

Structure deposition date

2022-09-21

Thiol separation (Å)

2

Half-sphere exposure sum ?

61

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

245

Residue number B

251

Peptide name

Adrenocorticotropic hormone receptor

Ligandability

Cysteine 245 of Adrenocorticotropic hormone receptor

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 Adrenocorticotropic hormone receptor

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 Adrenocorticotropic hormone receptor between cysteines 231 and 267.

Details

Redox score ?

68

PDB code

Structure name

cryo-em structure of acth-bound melanocortin-2 receptor in complex with mrap1 and gs protein

Structure deposition date

2022-09-21

Thiol separation (Å)

5

Half-sphere exposure sum ?

67

Minimum pK_a ?

7

% buried

72

Peptide accession

Residue number A

231

Residue number B

267

Peptide name

Adrenocorticotropic hormone receptor

Ligandability

Cysteine 231 of Adrenocorticotropic hormone receptor

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 Adrenocorticotropic hormone receptor

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 Adrenocorticotropic hormone receptor between cysteines 251 and 253. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

35

PDB code

Structure name

cryo-em structure of acth-bound melanocortin-2 receptor in complex with mrap1 and gs protein

Structure deposition date

2022-09-21

Thiol separation (Å)

10

Half-sphere exposure sum ?

74

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

251

Residue number B

253

Peptide name

Adrenocorticotropic hormone receptor

Ligandability

Cysteine 251 of Adrenocorticotropic hormone receptor

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 253 of Adrenocorticotropic hormone receptor

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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