ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Monocarboxylate transporter 1

Intramolecular
Cysteine 106 and cysteine 115
Cysteine 399 and cysteine 400
Cysteine 94 and cysteine 98
Cysteine 94 and cysteine 189
Cysteine 188 and cysteine 189
Cysteine 98 and cysteine 115
Cysteine 343 and cysteine 426
Cysteine 98 and cysteine 189
Cysteine 94 and cysteine 188
A redox-regulated disulphide may form within Monocarboxylate transporter 1 between cysteines 106 and 115.

Details

Redox score ?
70
PDB code
6lz0
Structure name
cryo-em structure of human mct1 in complex with basigin-2 in the presence of lactate
Structure deposition date
2020-02-16
Thiol separation (Å)
5
Half-sphere exposure sum ?
54
Minimum pKa ?
10
% buried
26
Peptide accession
P53985
Residue number A
106
Residue number B
115
Peptide name
Monocarboxylate transporter 1

Ligandability

Cysteine 106 of 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 115 of 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 Monocarboxylate transporter 1 between cysteines 399 and 400. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
7ckr
Structure name
cryo-em structure of the human mct1/basigin-2 complex in the presence of anti-cancer drug candidate bay-8002 in the outward-open conformation
Structure deposition date
2020-07-18
Thiol separation (Å)
6
Half-sphere exposure sum ?
55
Minimum pKa ?
9
% buried
22
Peptide accession
P53985
Residue number A
399
Residue number B
400
Peptide name
Monocarboxylate transporter 1

Ligandability

Cysteine 399 of 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 400 of 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 Monocarboxylate transporter 1 between cysteines 94 and 98. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
6lyy
Structure name
cryo-em structure of the human mct1/basigin-2 complex in the presence of anti-cancer drug candidate azd3965 in the outward-open conformation
Structure deposition date
2020-02-16
Thiol separation (Å)
7
Half-sphere exposure sum ?
63
Minimum pKa ?
9
% buried
14
Peptide accession
P53985
Residue number A
94
Residue number B
98
Peptide name
Monocarboxylate transporter 1

Ligandability

Cysteine 94 of 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 98 of 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 Monocarboxylate transporter 1 between cysteines 94 and 189. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
6lyy
Structure name
cryo-em structure of the human mct1/basigin-2 complex in the presence of anti-cancer drug candidate azd3965 in the outward-open conformation
Structure deposition date
2020-02-16
Thiol separation (Å)
7
Half-sphere exposure sum ?
80
Minimum pKa ?
10
% buried
40
Peptide accession
P53985
Residue number A
94
Residue number B
189
Peptide name
Monocarboxylate transporter 1

Ligandability

Cysteine 94 of 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 189 of 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 Monocarboxylate transporter 1 between cysteines 188 and 189. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
7da5
Structure name
cryo-em structure of the human mct1 d309n mutant in complex with basigin-2 in the inward-open conformation
Structure deposition date
2020-10-14
Thiol separation (Å)
7
Half-sphere exposure sum ?
91
Minimum pKa ?
11
% buried
76
Peptide accession
P53985
Residue number A
188
Residue number B
189
Peptide name
Monocarboxylate transporter 1

Ligandability

Cysteine 188 of 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 189 of 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 Monocarboxylate transporter 1 between cysteines 98 and 115. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
6lz0
Structure name
cryo-em structure of human mct1 in complex with basigin-2 in the presence of lactate
Structure deposition date
2020-02-16
Thiol separation (Å)
9
Half-sphere exposure sum ?
62
Minimum pKa ?
9
% buried
12
Peptide accession
P53985
Residue number A
98
Residue number B
115
Peptide name
Monocarboxylate transporter 1

Ligandability

Cysteine 98 of 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 115 of 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 Monocarboxylate transporter 1 between cysteines 343 and 426. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
7ckr
Structure name
cryo-em structure of the human mct1/basigin-2 complex in the presence of anti-cancer drug candidate bay-8002 in the outward-open conformation
Structure deposition date
2020-07-18
Thiol separation (Å)
8
Half-sphere exposure sum ?
80
Minimum pKa ?
13
% buried
98
Peptide accession
P53985
Residue number A
343
Residue number B
426
Peptide name
Monocarboxylate transporter 1

Ligandability

Cysteine 343 of 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 426 of 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 Monocarboxylate transporter 1 between cysteines 98 and 189. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
7da5
Structure name
cryo-em structure of the human mct1 d309n mutant in complex with basigin-2 in the inward-open conformation
Structure deposition date
2020-10-14
Thiol separation (Å)
10
Half-sphere exposure sum ?
73
Minimum pKa ?
9
% buried
32
Peptide accession
P53985
Residue number A
98
Residue number B
189
Peptide name
Monocarboxylate transporter 1

Ligandability

Cysteine 98 of 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 189 of 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 Monocarboxylate transporter 1 between cysteines 94 and 188. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
7ckr
Structure name
cryo-em structure of the human mct1/basigin-2 complex in the presence of anti-cancer drug candidate bay-8002 in the outward-open conformation
Structure deposition date
2020-07-18
Thiol separation (Å)
10
Half-sphere exposure sum ?
83
Minimum pKa ?
9
% buried
62
Peptide accession
P53985
Residue number A
94
Residue number B
188
Peptide name
Monocarboxylate transporter 1

Ligandability

Cysteine 94 of 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 188 of 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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