ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Sarafotoxin

Intermolecular
Cysteine 358 of Endothelin receptor type B and cysteine 160
Cysteine 255 of Endothelin receptor type B and cysteine 164
A redox-regulated disulphide may form between cysteine 358 of Endothelin receptor type B and cysteine 160 of Sarafotoxin (358 and 11 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
6lry
Structure name
crystal structure of human endothelin etb receptor in complex with sarafotoxin s6b
Structure deposition date
2020-01-16
Thiol separation (Å)
10
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide A name
Endothelin receptor type B
Peptide B name
Sarafotoxin
Peptide A accession
P24530
Peptide B accession
P13208
Peptide A residue number
358
Peptide B residue number
160

Ligandability

Cysteine 358 of Endothelin receptor type B

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 160 of Sarafotoxin

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 cysteine 255 of Endothelin receptor type B and cysteine 164 of Sarafotoxin (255 and 15 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
6lry
Structure name
crystal structure of human endothelin etb receptor in complex with sarafotoxin s6b
Structure deposition date
2020-01-16
Thiol separation (Å)
10
Half-sphere exposure sum ?
83
Minimum pKa ?
nan
% buried
nan
Peptide A name
Endothelin receptor type B
Peptide B name
Sarafotoxin
Peptide A accession
P24530
Peptide B accession
P13208
Peptide A residue number
255
Peptide B residue number
164

Ligandability

Cysteine 255 of Endothelin receptor type B

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 164 of Sarafotoxin

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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