ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Sodium-coupled monocarboxylate transporter 1

Intramolecular
Cysteine 308 and cysteine 480
Cysteine 126 and cysteine 130
Cysteine 293 and cysteine 297
Cysteine 177 and cysteine 396
Cysteine 173 and cysteine 396
Cysteine 173 and cysteine 177
Cysteine 297 and cysteine 344
A redox-regulated disulphide may form within Sodium-coupled monocarboxylate transporter 1 between cysteines 308 and 480.

Details

Redox score ?
88
PDB code
7sl9
Structure name
cryoem structure of smct1
Structure deposition date
2021-10-23
Thiol separation (Å)
2
Half-sphere exposure sum ?
39
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8N695
Residue number A
308
Residue number B
480
Peptide name
Sodium-coupled monocarboxylate transporter 1

Ligandability

Cysteine 308 of Sodium-coupled monocarboxylate transporter 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 480 of Sodium-coupled monocarboxylate transporter 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 Sodium-coupled monocarboxylate transporter 1 between cysteines 126 and 130. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
7sl9
Structure name
cryoem structure of smct1
Structure deposition date
2021-10-23
Thiol separation (Å)
6
Half-sphere exposure sum ?
53
Minimum pKa ?
9
% buried
18
Peptide accession
Q8N695
Residue number A
126
Residue number B
130
Peptide name
Sodium-coupled monocarboxylate transporter 1

Ligandability

Cysteine 126 of Sodium-coupled monocarboxylate transporter 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 130 of Sodium-coupled monocarboxylate transporter 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 Sodium-coupled monocarboxylate transporter 1 between cysteines 293 and 297. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
7sl9
Structure name
cryoem structure of smct1
Structure deposition date
2021-10-23
Thiol separation (Å)
7
Half-sphere exposure sum ?
76
Minimum pKa ?
10
% buried
71
Peptide accession
Q8N695
Residue number A
293
Residue number B
297
Peptide name
Sodium-coupled monocarboxylate transporter 1

Ligandability

Cysteine 293 of Sodium-coupled monocarboxylate transporter 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 297 of Sodium-coupled monocarboxylate transporter 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 Sodium-coupled monocarboxylate transporter 1 between cysteines 177 and 396. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
7sl9
Structure name
cryoem structure of smct1
Structure deposition date
2021-10-23
Thiol separation (Å)
10
Half-sphere exposure sum ?
78
Minimum pKa ?
9
% buried
57
Peptide accession
Q8N695
Residue number A
177
Residue number B
396
Peptide name
Sodium-coupled monocarboxylate transporter 1

Ligandability

Cysteine 177 of Sodium-coupled monocarboxylate transporter 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 396 of Sodium-coupled monocarboxylate transporter 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 Sodium-coupled monocarboxylate transporter 1 between cysteines 173 and 396. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
7sl9
Structure name
cryoem structure of smct1
Structure deposition date
2021-10-23
Thiol separation (Å)
8
Half-sphere exposure sum ?
77
Minimum pKa ?
11
% buried
80
Peptide accession
Q8N695
Residue number A
173
Residue number B
396
Peptide name
Sodium-coupled monocarboxylate transporter 1

Ligandability

Cysteine 173 of Sodium-coupled monocarboxylate transporter 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 396 of Sodium-coupled monocarboxylate transporter 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 Sodium-coupled monocarboxylate transporter 1 between cysteines 173 and 177. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
7sl9
Structure name
cryoem structure of smct1
Structure deposition date
2021-10-23
Thiol separation (Å)
10
Half-sphere exposure sum ?
75
Minimum pKa ?
9
% buried
61
Peptide accession
Q8N695
Residue number A
173
Residue number B
177
Peptide name
Sodium-coupled monocarboxylate transporter 1

Ligandability

Cysteine 173 of Sodium-coupled monocarboxylate transporter 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 177 of Sodium-coupled monocarboxylate transporter 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 Sodium-coupled monocarboxylate transporter 1 between cysteines 297 and 344. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
24
PDB code
7sl9
Structure name
cryoem structure of smct1
Structure deposition date
2021-10-23
Thiol separation (Å)
10
Half-sphere exposure sum ?
88
Minimum pKa ?
12
% buried
100
Peptide accession
Q8N695
Residue number A
297
Residue number B
344
Peptide name
Sodium-coupled monocarboxylate transporter 1

Ligandability

Cysteine 297 of Sodium-coupled monocarboxylate transporter 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 344 of Sodium-coupled monocarboxylate transporter 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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