ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Solute carrier family 12 member 5

Intramolecular
Cysteine 345 and cysteine 354
Cysteine 165 and cysteine 629
Cysteine 310 and cysteine 325
Cysteine 259 and cysteine 263
Cysteine 206 and cysteine 591
Cysteine 162 and cysteine 163
Cysteine 162 and cysteine 636
Cysteine 263 and cysteine 519
Cysteine 162 and cysteine 165
Cysteine 162 and cysteine 629
More...
Cysteine 629 and cysteine 636
Cysteine 591 and cysteine 629
Cysteine 157 and cysteine 162
Cysteine 566 and cysteine 568
Cysteine 163 and cysteine 165
Cysteine 165 and cysteine 636
Cysteine 285 and cysteine 519
Cysteine 165 and cysteine 591
A redox-regulated disulphide may form within Solute carrier family 12 member 5 between cysteines 345 and 354 (322 and 331 respectively in this structure).

Details

Redox score ?
89
PDB code
6m23
Structure name
overall structure of kcc2
Structure deposition date
2020-02-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
47
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9H2X9
Residue number A
345
Residue number B
354
Peptide name
Solute carrier family 12 member 5

Ligandability

Cysteine 345 of Solute carrier family 12 member 5

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 354 of Solute carrier family 12 member 5

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 Solute carrier family 12 member 5 between cysteines 165 and 629 (142 and 606 respectively in this structure).

Details

Redox score ?
74
PDB code
6m23
Structure name
overall structure of kcc2
Structure deposition date
2020-02-26
Thiol separation (Å)
4
Half-sphere exposure sum ?
76
Minimum pKa ?
8
% buried
94
Peptide accession
Q9H2X9
Residue number A
165
Residue number B
629
Peptide name
Solute carrier family 12 member 5

Ligandability

Cysteine 165 of Solute carrier family 12 member 5

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 629 of Solute carrier family 12 member 5

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 Solute carrier family 12 member 5 between cysteines 310 and 325 (287 and 302 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
6m23
Structure name
overall structure of kcc2
Structure deposition date
2020-02-26
Thiol separation (Å)
6
Half-sphere exposure sum ?
68
Minimum pKa ?
10
% buried
54
Peptide accession
Q9H2X9
Residue number A
310
Residue number B
325
Peptide name
Solute carrier family 12 member 5

Ligandability

Cysteine 310 of Solute carrier family 12 member 5

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 Solute carrier family 12 member 5

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 Solute carrier family 12 member 5 between cysteines 259 and 263. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
7d14
Structure name
mouse kcc2
Structure deposition date
2020-09-13
Thiol separation (Å)
7
Half-sphere exposure sum ?
39
Minimum pKa ?
9
% buried
2
Peptide accession
Q91V14
Residue number A
259
Residue number B
263
Peptide name
Solute carrier family 12 member 5

Ligandability

Cysteine 259 of Solute carrier family 12 member 5

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 263 of Solute carrier family 12 member 5

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 Solute carrier family 12 member 5 between cysteines 206 and 591. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
7d14
Structure name
mouse kcc2
Structure deposition date
2020-09-13
Thiol separation (Å)
6
Half-sphere exposure sum ?
82
Minimum pKa ?
12
% buried
98
Peptide accession
Q91V14
Residue number A
206
Residue number B
591
Peptide name
Solute carrier family 12 member 5

Ligandability

Cysteine 206 of Solute carrier family 12 member 5

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 591 of Solute carrier family 12 member 5

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 Solute carrier family 12 member 5 between cysteines 162 and 163 (139 and 140 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
6m23
Structure name
overall structure of kcc2
Structure deposition date
2020-02-26
Thiol separation (Å)
7
Half-sphere exposure sum ?
79
Minimum pKa ?
10
% buried
88
Peptide accession
Q9H2X9
Residue number A
162
Residue number B
163
Peptide name
Solute carrier family 12 member 5

Ligandability

Cysteine 162 of Solute carrier family 12 member 5

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 163 of Solute carrier family 12 member 5

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 Solute carrier family 12 member 5 between cysteines 162 and 636 (139 and 613 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
6m23
Structure name
overall structure of kcc2
Structure deposition date
2020-02-26
Thiol separation (Å)
7
Half-sphere exposure sum ?
75
Minimum pKa ?
12
% buried
94
Peptide accession
Q9H2X9
Residue number A
162
Residue number B
636
Peptide name
Solute carrier family 12 member 5

Ligandability

Cysteine 162 of Solute carrier family 12 member 5

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 636 of Solute carrier family 12 member 5

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 Solute carrier family 12 member 5 between cysteines 263 and 519. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
7d14
Structure name
mouse kcc2
Structure deposition date
2020-09-13
Thiol separation (Å)
8
Half-sphere exposure sum ?
59
Minimum pKa ?
9
% buried
34
Peptide accession
Q91V14
Residue number A
263
Residue number B
519
Peptide name
Solute carrier family 12 member 5

Ligandability

Cysteine 263 of Solute carrier family 12 member 5

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 519 of Solute carrier family 12 member 5

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 Solute carrier family 12 member 5 between cysteines 162 and 165. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
7d14
Structure name
mouse kcc2
Structure deposition date
2020-09-13
Thiol separation (Å)
7
Half-sphere exposure sum ?
77
Minimum pKa ?
13
% buried
98
Peptide accession
Q91V14
Residue number A
162
Residue number B
165
Peptide name
Solute carrier family 12 member 5

Ligandability

Cysteine 162 of Solute carrier family 12 member 5

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 165 of Solute carrier family 12 member 5

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 Solute carrier family 12 member 5 between cysteines 162 and 629. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
7d8z
Structure name
human potassium-chloride co-transporter kcc2
Structure deposition date
2020-10-11
Thiol separation (Å)
8
Half-sphere exposure sum ?
77
Minimum pKa ?
13
% buried
nan
Peptide accession
Q9H2X9
Residue number A
162
Residue number B
629
Peptide name
Solute carrier family 12 member 5

Ligandability

Cysteine 162 of Solute carrier family 12 member 5

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 629 of Solute carrier family 12 member 5

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 Solute carrier family 12 member 5 between cysteines 629 and 636. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
7d8z
Structure name
human potassium-chloride co-transporter kcc2
Structure deposition date
2020-10-11
Thiol separation (Å)
9
Half-sphere exposure sum ?
74
Minimum pKa ?
11
% buried
nan
Peptide accession
Q9H2X9
Residue number A
629
Residue number B
636
Peptide name
Solute carrier family 12 member 5

Ligandability

Cysteine 629 of Solute carrier family 12 member 5

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 636 of Solute carrier family 12 member 5

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 Solute carrier family 12 member 5 between cysteines 591 and 629 (568 and 606 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
6m23
Structure name
overall structure of kcc2
Structure deposition date
2020-02-26
Thiol separation (Å)
9
Half-sphere exposure sum ?
83
Minimum pKa ?
8
% buried
96
Peptide accession
Q9H2X9
Residue number A
591
Residue number B
629
Peptide name
Solute carrier family 12 member 5

Ligandability

Cysteine 591 of Solute carrier family 12 member 5

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 629 of Solute carrier family 12 member 5

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 Solute carrier family 12 member 5 between cysteines 157 and 162. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
7d14
Structure name
mouse kcc2
Structure deposition date
2020-09-13
Thiol separation (Å)
9
Half-sphere exposure sum ?
60
Minimum pKa ?
9
% buried
50
Peptide accession
Q91V14
Residue number A
157
Residue number B
162
Peptide name
Solute carrier family 12 member 5

Ligandability

Cysteine 157 of Solute carrier family 12 member 5

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 162 of Solute carrier family 12 member 5

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 Solute carrier family 12 member 5 between cysteines 566 and 568. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
7d8z
Structure name
human potassium-chloride co-transporter kcc2
Structure deposition date
2020-10-11
Thiol separation (Å)
9
Half-sphere exposure sum ?
66
Minimum pKa ?
10
% buried
50
Peptide accession
Q9H2X9
Residue number A
566
Residue number B
568
Peptide name
Solute carrier family 12 member 5

Ligandability

Cysteine 566 of Solute carrier family 12 member 5

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 568 of Solute carrier family 12 member 5

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 Solute carrier family 12 member 5 between cysteines 163 and 165. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
7d8z
Structure name
human potassium-chloride co-transporter kcc2
Structure deposition date
2020-10-11
Thiol separation (Å)
10
Half-sphere exposure sum ?
78
Minimum pKa ?
10
% buried
nan
Peptide accession
Q9H2X9
Residue number A
163
Residue number B
165
Peptide name
Solute carrier family 12 member 5

Ligandability

Cysteine 163 of Solute carrier family 12 member 5

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 165 of Solute carrier family 12 member 5

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 Solute carrier family 12 member 5 between cysteines 165 and 636. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
7d14
Structure name
mouse kcc2
Structure deposition date
2020-09-13
Thiol separation (Å)
9
Half-sphere exposure sum ?
71
Minimum pKa ?
11
% buried
92
Peptide accession
Q91V14
Residue number A
165
Residue number B
636
Peptide name
Solute carrier family 12 member 5

Ligandability

Cysteine 165 of Solute carrier family 12 member 5

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 636 of Solute carrier family 12 member 5

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 Solute carrier family 12 member 5 between cysteines 285 and 519. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
7d14
Structure name
mouse kcc2
Structure deposition date
2020-09-13
Thiol separation (Å)
10
Half-sphere exposure sum ?
71
Minimum pKa ?
10
% buried
46
Peptide accession
Q91V14
Residue number A
285
Residue number B
519
Peptide name
Solute carrier family 12 member 5

Ligandability

Cysteine 285 of Solute carrier family 12 member 5

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 519 of Solute carrier family 12 member 5

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 Solute carrier family 12 member 5 between cysteines 165 and 591 (142 and 568 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
21
PDB code
6m23
Structure name
overall structure of kcc2
Structure deposition date
2020-02-26
Thiol separation (Å)
10
Half-sphere exposure sum ?
81
Minimum pKa ?
14
% buried
98
Peptide accession
Q9H2X9
Residue number A
165
Residue number B
591
Peptide name
Solute carrier family 12 member 5

Ligandability

Cysteine 165 of Solute carrier family 12 member 5

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 591 of Solute carrier family 12 member 5

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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