ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Sodium- and chloride-dependent GABA transporter 1

Intramolecular
Cysteine 164 and cysteine 173
Cysteine 324 and cysteine 325
Cysteine 325 and cysteine 329
Cysteine 493 and cysteine 499
Cysteine 324 and cysteine 329
Cysteine 102 and cysteine 324
A redox-regulated disulphide may form within Sodium- and chloride-dependent GABA transporter 1 between cysteines 164 and 173.

Details

Redox score ?
86
PDB code
7sk2
Structure name
human wildtype gaba reuptake transporter 1 in complex with tiagabine, inward-open conformation
Structure deposition date
2021-10-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
P30531
Residue number A
164
Residue number B
173
Peptide name
Sodium- and chloride-dependent GABA transporter 1

Ligandability

Cysteine 164 of Sodium- and chloride-dependent GABA 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 173 of Sodium- and chloride-dependent GABA 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- and chloride-dependent GABA transporter 1 between cysteines 324 and 325. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
7sk2
Structure name
human wildtype gaba reuptake transporter 1 in complex with tiagabine, inward-open conformation
Structure deposition date
2021-10-19
Thiol separation (Å)
6
Half-sphere exposure sum ?
61
Minimum pKa ?
10
% buried
62
Peptide accession
P30531
Residue number A
324
Residue number B
325
Peptide name
Sodium- and chloride-dependent GABA transporter 1

Ligandability

Cysteine 324 of Sodium- and chloride-dependent GABA 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 325 of Sodium- and chloride-dependent GABA 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- and chloride-dependent GABA transporter 1 between cysteines 325 and 329. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
7sk2
Structure name
human wildtype gaba reuptake transporter 1 in complex with tiagabine, inward-open conformation
Structure deposition date
2021-10-19
Thiol separation (Å)
6
Half-sphere exposure sum ?
51
Minimum pKa ?
10
% buried
26
Peptide accession
P30531
Residue number A
325
Residue number B
329
Peptide name
Sodium- and chloride-dependent GABA transporter 1

Ligandability

Cysteine 325 of Sodium- and chloride-dependent GABA 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 329 of Sodium- and chloride-dependent GABA 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- and chloride-dependent GABA transporter 1 between cysteines 493 and 499. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
7sk2
Structure name
human wildtype gaba reuptake transporter 1 in complex with tiagabine, inward-open conformation
Structure deposition date
2021-10-19
Thiol separation (Å)
8
Half-sphere exposure sum ?
46
Minimum pKa ?
9
% buried
26
Peptide accession
P30531
Residue number A
493
Residue number B
499
Peptide name
Sodium- and chloride-dependent GABA transporter 1

Ligandability

Cysteine 493 of Sodium- and chloride-dependent GABA 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 499 of Sodium- and chloride-dependent GABA 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- and chloride-dependent GABA transporter 1 between cysteines 324 and 329. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
7sk2
Structure name
human wildtype gaba reuptake transporter 1 in complex with tiagabine, inward-open conformation
Structure deposition date
2021-10-19
Thiol separation (Å)
10
Half-sphere exposure sum ?
59
Minimum pKa ?
10
% buried
56
Peptide accession
P30531
Residue number A
324
Residue number B
329
Peptide name
Sodium- and chloride-dependent GABA transporter 1

Ligandability

Cysteine 324 of Sodium- and chloride-dependent GABA 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 329 of Sodium- and chloride-dependent GABA 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- and chloride-dependent GABA transporter 1 between cysteines 102 and 324. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
7sk2
Structure name
human wildtype gaba reuptake transporter 1 in complex with tiagabine, inward-open conformation
Structure deposition date
2021-10-19
Thiol separation (Å)
9
Half-sphere exposure sum ?
79
Minimum pKa ?
12
% buried
96
Peptide accession
P30531
Residue number A
102
Residue number B
324
Peptide name
Sodium- and chloride-dependent GABA transporter 1

Ligandability

Cysteine 102 of Sodium- and chloride-dependent GABA 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 324 of Sodium- and chloride-dependent GABA 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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