ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Home
About
List

Solute carrier family 12 member 3

Intramolecular
Cysteine 430 and cysteine 436
Cysteine 416 and cysteine 421
Cysteine 645 and cysteine 772
Cysteine 645 and cysteine 674
Cysteine 482 and cysteine 484
A redox-regulated disulphide may form within Solute carrier family 12 member 3 between cysteines 430 and 436.

Details

Redox score ?
88
PDB code
8fhq
Structure name
cryo-em structure of human ncc (class 3-2)
Structure deposition date
2022-12-14
Thiol separation (Å)
2
Half-sphere exposure sum ?
48
Minimum pKa ?
nan
% buried
nan
Peptide accession
P55017
Residue number A
430
Residue number B
436
Peptide name
Solute carrier family 12 member 3

Ligandability

Cysteine 430 of Solute carrier family 12 member 3

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 436 of Solute carrier family 12 member 3

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 3 between cysteines 416 and 421.

Details

Redox score ?
87
PDB code
8fhn
Structure name
cryo-em structure of human ncc (class 2)
Structure deposition date
2022-12-14
Thiol separation (Å)
2
Half-sphere exposure sum ?
48
Minimum pKa ?
nan
% buried
nan
Peptide accession
P55017
Residue number A
416
Residue number B
421
Peptide name
Solute carrier family 12 member 3

Ligandability

Cysteine 416 of Solute carrier family 12 member 3

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 421 of Solute carrier family 12 member 3

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 3 between cysteines 645 and 772. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
8fho
Structure name
cryo-em structure of human ncc (class 1)
Structure deposition date
2022-12-14
Thiol separation (Å)
8
Half-sphere exposure sum ?
82
Minimum pKa ?
12
% buried
100
Peptide accession
P55017
Residue number A
645
Residue number B
772
Peptide name
Solute carrier family 12 member 3

Ligandability

Cysteine 645 of Solute carrier family 12 member 3

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 772 of Solute carrier family 12 member 3

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 3 between cysteines 645 and 674. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
8fho
Structure name
cryo-em structure of human ncc (class 1)
Structure deposition date
2022-12-14
Thiol separation (Å)
8
Half-sphere exposure sum ?
85
Minimum pKa ?
12
% buried
100
Peptide accession
P55017
Residue number A
645
Residue number B
674
Peptide name
Solute carrier family 12 member 3

Ligandability

Cysteine 645 of Solute carrier family 12 member 3

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 674 of Solute carrier family 12 member 3

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 3 between cysteines 482 and 484. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
8fhq
Structure name
cryo-em structure of human ncc (class 3-2)
Structure deposition date
2022-12-14
Thiol separation (Å)
10
Half-sphere exposure sum ?
72
Minimum pKa ?
10
% buried
55
Peptide accession
P55017
Residue number A
482
Residue number B
484
Peptide name
Solute carrier family 12 member 3

Ligandability

Cysteine 482 of Solute carrier family 12 member 3

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 484 of Solute carrier family 12 member 3

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.

If this tool was useful for finding a disulphide, please cite: