ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Solute carrier family 12 member 6

Intermolecular
Cysteine 846 and cysteine 846
Intramolecular
Cysteine 375 and cysteine 390
Cysteine 410 and cysteine 420
Cysteine 230 and cysteine 691
Cysteine 229 and cysteine 230
Cysteine 227 and cysteine 228
Cysteine 229 and cysteine 691
Cysteine 271 and cysteine 653
Cysteine 350 and cysteine 581
Cysteine 228 and cysteine 229
More...
Cysteine 227 and cysteine 230
Cysteine 227 and cysteine 229
Cysteine 227 and cysteine 691
Cysteine 228 and cysteine 230
Cysteine 827 and cysteine 846
Cysteine 653 and cysteine 691
Cysteine 230 and cysteine 653
A redox-regulated disulphide may form between two units of Solute carrier family 12 member 6 at cysteines 846 and 846 (795 and 795 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
6m1y
Structure name
the overall structure of kcc3
Structure deposition date
2020-02-26
Thiol separation (Å)
10
Half-sphere exposure sum ?
92
Minimum pKa ?
12
% buried
100
Peptide A name
Solute carrier family 12 member 6
Peptide B name
Solute carrier family 12 member 6
Peptide A accession
Q9UHW9
Peptide B accession
Q9UHW9
Peptide A residue number
846
Peptide B residue number
846

Ligandability

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 6 between cysteines 375 and 390 (324 and 339 respectively in this structure).

Details

Redox score ?
81
PDB code
7aio
Structure name
structure of human potassium chloride transporter kcc3 s45d/t940d/t997d in nacl (subclass)
Structure deposition date
2020-09-28
Thiol separation (Å)
2
Half-sphere exposure sum ?
72
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9UHW9
Residue number A
375
Residue number B
390
Peptide name
Solute carrier family 12 member 6

Ligandability

Cysteine 375 of Solute carrier family 12 member 6

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 390 of Solute carrier family 12 member 6

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 6 between cysteines 410 and 420 (359 and 369 respectively in this structure).

Details

Redox score ?
79
PDB code
6m22
Structure name
kcc3 bound with dioa
Structure deposition date
2020-02-26
Thiol separation (Å)
4
Half-sphere exposure sum ?
46
Minimum pKa ?
10
% buried
34
Peptide accession
Q9UHW9
Residue number A
410
Residue number B
420
Peptide name
Solute carrier family 12 member 6

Ligandability

Cysteine 410 of Solute carrier family 12 member 6

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 420 of Solute carrier family 12 member 6

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 6 between cysteines 230 and 691 (179 and 640 respectively in this structure).

Details

Redox score ?
74
PDB code
6m1y
Structure name
the overall structure of kcc3
Structure deposition date
2020-02-26
Thiol separation (Å)
4
Half-sphere exposure sum ?
76
Minimum pKa ?
8
% buried
88
Peptide accession
Q9UHW9
Residue number A
230
Residue number B
691
Peptide name
Solute carrier family 12 member 6

Ligandability

Cysteine 230 of Solute carrier family 12 member 6

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 691 of Solute carrier family 12 member 6

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 6 between cysteines 229 and 230 (178 and 179 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
6m1y
Structure name
the overall structure of kcc3
Structure deposition date
2020-02-26
Thiol separation (Å)
7
Half-sphere exposure sum ?
68
Minimum pKa ?
10
% buried
64
Peptide accession
Q9UHW9
Residue number A
229
Residue number B
230
Peptide name
Solute carrier family 12 member 6

Ligandability

Cysteine 229 of Solute carrier family 12 member 6

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 230 of Solute carrier family 12 member 6

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 6 between cysteines 227 and 228. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
7d90
Structure name
human potassium-chloride co-transporter kcc3
Structure deposition date
2020-10-12
Thiol separation (Å)
7
Half-sphere exposure sum ?
74
Minimum pKa ?
11
% buried
86
Peptide accession
Q9UHW9
Residue number A
227
Residue number B
228
Peptide name
Solute carrier family 12 member 6

Ligandability

Cysteine 227 of Solute carrier family 12 member 6

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 228 of Solute carrier family 12 member 6

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 6 between cysteines 229 and 691 (178 and 640 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
7aio
Structure name
structure of human potassium chloride transporter kcc3 s45d/t940d/t997d in nacl (subclass)
Structure deposition date
2020-09-28
Thiol separation (Å)
8
Half-sphere exposure sum ?
75
Minimum pKa ?
10
% buried
nan
Peptide accession
Q9UHW9
Residue number A
229
Residue number B
691
Peptide name
Solute carrier family 12 member 6

Ligandability

Cysteine 229 of Solute carrier family 12 member 6

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 691 of Solute carrier family 12 member 6

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 6 between cysteines 271 and 653 (220 and 602 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
7ain
Structure name
structure of human potassium chloride transporter kcc3 s45d/t940d/t997d in nacl (reference map)
Structure deposition date
2020-09-28
Thiol separation (Å)
7
Half-sphere exposure sum ?
90
Minimum pKa ?
12
% buried
100
Peptide accession
Q9UHW9
Residue number A
271
Residue number B
653
Peptide name
Solute carrier family 12 member 6

Ligandability

Cysteine 271 of Solute carrier family 12 member 6

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 653 of Solute carrier family 12 member 6

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 6 between cysteines 350 and 581 (299 and 530 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
7ain
Structure name
structure of human potassium chloride transporter kcc3 s45d/t940d/t997d in nacl (reference map)
Structure deposition date
2020-09-28
Thiol separation (Å)
8
Half-sphere exposure sum ?
76
Minimum pKa ?
10
% buried
58
Peptide accession
Q9UHW9
Residue number A
350
Residue number B
581
Peptide name
Solute carrier family 12 member 6

Ligandability

Cysteine 350 of Solute carrier family 12 member 6

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 581 of Solute carrier family 12 member 6

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 6 between cysteines 228 and 229 (177 and 178 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
7aio
Structure name
structure of human potassium chloride transporter kcc3 s45d/t940d/t997d in nacl (subclass)
Structure deposition date
2020-09-28
Thiol separation (Å)
9
Half-sphere exposure sum ?
73
Minimum pKa ?
10
% buried
62
Peptide accession
Q9UHW9
Residue number A
228
Residue number B
229
Peptide name
Solute carrier family 12 member 6

Ligandability

Cysteine 228 of Solute carrier family 12 member 6

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 229 of Solute carrier family 12 member 6

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 6 between cysteines 227 and 230 (176 and 179 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
7aio
Structure name
structure of human potassium chloride transporter kcc3 s45d/t940d/t997d in nacl (subclass)
Structure deposition date
2020-09-28
Thiol separation (Å)
8
Half-sphere exposure sum ?
82
Minimum pKa ?
13
% buried
nan
Peptide accession
Q9UHW9
Residue number A
227
Residue number B
230
Peptide name
Solute carrier family 12 member 6

Ligandability

Cysteine 227 of Solute carrier family 12 member 6

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 230 of Solute carrier family 12 member 6

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 6 between cysteines 227 and 229. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
7d90
Structure name
human potassium-chloride co-transporter kcc3
Structure deposition date
2020-10-12
Thiol separation (Å)
10
Half-sphere exposure sum ?
67
Minimum pKa ?
10
% buried
64
Peptide accession
Q9UHW9
Residue number A
227
Residue number B
229
Peptide name
Solute carrier family 12 member 6

Ligandability

Cysteine 227 of Solute carrier family 12 member 6

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 229 of Solute carrier family 12 member 6

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 6 between cysteines 227 and 691 (176 and 640 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
7ngb
Structure name
structure of wild-type human potassium chloride transporter kcc3 in nacl (lmng/chs)
Structure deposition date
2021-02-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
78
Minimum pKa ?
13
% buried
nan
Peptide accession
Q9UHW9
Residue number A
227
Residue number B
691
Peptide name
Solute carrier family 12 member 6

Ligandability

Cysteine 227 of Solute carrier family 12 member 6

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 691 of Solute carrier family 12 member 6

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 6 between cysteines 228 and 230 (177 and 179 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
7aio
Structure name
structure of human potassium chloride transporter kcc3 s45d/t940d/t997d in nacl (subclass)
Structure deposition date
2020-09-28
Thiol separation (Å)
10
Half-sphere exposure sum ?
80
Minimum pKa ?
11
% buried
nan
Peptide accession
Q9UHW9
Residue number A
228
Residue number B
230
Peptide name
Solute carrier family 12 member 6

Ligandability

Cysteine 228 of Solute carrier family 12 member 6

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 230 of Solute carrier family 12 member 6

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 6 between cysteines 827 and 846 (776 and 795 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
7ngb
Structure name
structure of wild-type human potassium chloride transporter kcc3 in nacl (lmng/chs)
Structure deposition date
2021-02-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
87
Minimum pKa ?
12
% buried
96
Peptide accession
Q9UHW9
Residue number A
827
Residue number B
846
Peptide name
Solute carrier family 12 member 6

Ligandability

Cysteine 827 of Solute carrier family 12 member 6

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 846 of Solute carrier family 12 member 6

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 6 between cysteines 653 and 691 (602 and 640 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
26
PDB code
7ain
Structure name
structure of human potassium chloride transporter kcc3 s45d/t940d/t997d in nacl (reference map)
Structure deposition date
2020-09-28
Thiol separation (Å)
10
Half-sphere exposure sum ?
88
Minimum pKa ?
13
% buried
nan
Peptide accession
Q9UHW9
Residue number A
653
Residue number B
691
Peptide name
Solute carrier family 12 member 6

Ligandability

Cysteine 653 of Solute carrier family 12 member 6

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 691 of Solute carrier family 12 member 6

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 6 between cysteines 230 and 653 (179 and 602 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
25
PDB code
7aio
Structure name
structure of human potassium chloride transporter kcc3 s45d/t940d/t997d in nacl (subclass)
Structure deposition date
2020-09-28
Thiol separation (Å)
10
Half-sphere exposure sum ?
88
Minimum pKa ?
13
% buried
nan
Peptide accession
Q9UHW9
Residue number A
230
Residue number B
653
Peptide name
Solute carrier family 12 member 6

Ligandability

Cysteine 230 of Solute carrier family 12 member 6

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 653 of Solute carrier family 12 member 6

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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