ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Home
About
List

Sodium/potassium-transporting ATPase subunit alpha

Intramolecular
Cysteine 208 and cysteine 246
Cysteine 456 and cysteine 460
Cysteine 460 and cysteine 461
Cysteine 515 and cysteine 553
Cysteine 371 and cysteine 702
Cysteine 456 and cysteine 461
Cysteine 515 and cysteine 581
Cysteine 425 and cysteine 553
Cysteine 553 and cysteine 581
Cysteine 915 and cysteine 987
A redox-regulated disulphide may form within Sodium/potassium-transporting ATPase subunit alpha between cysteines 208 and 246 (204 and 242 respectively in this structure).

Details

Redox score ?
73
PDB code
3wgu
Structure name
crystal structure of a na+-bound na+,k+-atpase preceding the e1p state without oligomycin
Structure deposition date
2013-08-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
82
Minimum pKa ?
8
% buried
86
Peptide accession
I7HD36
Residue number A
208
Residue number B
246
Peptide name
Sodium/potassium-transporting ATPase subunit alpha

Ligandability

Cysteine 208 of Sodium/potassium-transporting ATPase subunit alpha

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 246 of Sodium/potassium-transporting ATPase subunit alpha

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/potassium-transporting ATPase subunit alpha between cysteines 456 and 460 (452 and 456 respectively in this structure).

Details

Redox score ?
69
PDB code
3wgv
Structure name
crystal structure of a na+-bound na+,k+-atpase preceding the e1p state with oligomycin
Structure deposition date
2013-08-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
70
Minimum pKa ?
8
% buried
81
Peptide accession
I7HD36
Residue number A
456
Residue number B
460
Peptide name
Sodium/potassium-transporting ATPase subunit alpha

Ligandability

Cysteine 456 of Sodium/potassium-transporting ATPase subunit alpha

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 460 of Sodium/potassium-transporting ATPase subunit alpha

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/potassium-transporting ATPase subunit alpha between cysteines 460 and 461 (456 and 457 respectively in this structure).

Details

Redox score ?
68
PDB code
3wgu
Structure name
crystal structure of a na+-bound na+,k+-atpase preceding the e1p state without oligomycin
Structure deposition date
2013-08-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
58
Minimum pKa ?
12
% buried
60
Peptide accession
I7HD36
Residue number A
460
Residue number B
461
Peptide name
Sodium/potassium-transporting ATPase subunit alpha

Ligandability

Cysteine 460 of Sodium/potassium-transporting ATPase subunit alpha

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 461 of Sodium/potassium-transporting ATPase subunit alpha

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/potassium-transporting ATPase subunit alpha between cysteines 515 and 553 (511 and 549 respectively in this structure).

Details

Redox score ?
68
PDB code
3wgu
Structure name
crystal structure of a na+-bound na+,k+-atpase preceding the e1p state without oligomycin
Structure deposition date
2013-08-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
84
Minimum pKa ?
9
% buried
95
Peptide accession
I7HD36
Residue number A
515
Residue number B
553
Peptide name
Sodium/potassium-transporting ATPase subunit alpha

Ligandability

Cysteine 515 of Sodium/potassium-transporting ATPase subunit alpha

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 553 of Sodium/potassium-transporting ATPase subunit alpha

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/potassium-transporting ATPase subunit alpha between cysteines 371 and 702 (367 and 698 respectively in this structure).

Details

Redox score ?
67
PDB code
3wgv
Structure name
crystal structure of a na+-bound na+,k+-atpase preceding the e1p state with oligomycin
Structure deposition date
2013-08-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
85
Minimum pKa ?
8
% buried
100
Peptide accession
I7HD36
Residue number A
371
Residue number B
702
Peptide name
Sodium/potassium-transporting ATPase subunit alpha

Ligandability

Cysteine 371 of Sodium/potassium-transporting ATPase subunit alpha

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 702 of Sodium/potassium-transporting ATPase subunit alpha

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/potassium-transporting ATPase subunit alpha between cysteines 456 and 461 (452 and 457 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
3wgu
Structure name
crystal structure of a na+-bound na+,k+-atpase preceding the e1p state without oligomycin
Structure deposition date
2013-08-09
Thiol separation (Å)
7
Half-sphere exposure sum ?
70
Minimum pKa ?
9
% buried
77
Peptide accession
I7HD36
Residue number A
456
Residue number B
461
Peptide name
Sodium/potassium-transporting ATPase subunit alpha

Ligandability

Cysteine 456 of Sodium/potassium-transporting ATPase subunit alpha

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 461 of Sodium/potassium-transporting ATPase subunit alpha

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/potassium-transporting ATPase subunit alpha between cysteines 515 and 581 (511 and 577 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
3wgu
Structure name
crystal structure of a na+-bound na+,k+-atpase preceding the e1p state without oligomycin
Structure deposition date
2013-08-09
Thiol separation (Å)
7
Half-sphere exposure sum ?
73
Minimum pKa ?
9
% buried
82
Peptide accession
I7HD36
Residue number A
515
Residue number B
581
Peptide name
Sodium/potassium-transporting ATPase subunit alpha

Ligandability

Cysteine 515 of Sodium/potassium-transporting ATPase subunit alpha

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 Sodium/potassium-transporting ATPase subunit alpha

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/potassium-transporting ATPase subunit alpha between cysteines 425 and 553 (421 and 549 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
3wgu
Structure name
crystal structure of a na+-bound na+,k+-atpase preceding the e1p state without oligomycin
Structure deposition date
2013-08-09
Thiol separation (Å)
8
Half-sphere exposure sum ?
98
Minimum pKa ?
9
% buried
100
Peptide accession
I7HD36
Residue number A
425
Residue number B
553
Peptide name
Sodium/potassium-transporting ATPase subunit alpha

Ligandability

Cysteine 425 of Sodium/potassium-transporting ATPase subunit alpha

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 553 of Sodium/potassium-transporting ATPase subunit alpha

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/potassium-transporting ATPase subunit alpha between cysteines 553 and 581 (549 and 577 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
3wgv
Structure name
crystal structure of a na+-bound na+,k+-atpase preceding the e1p state with oligomycin
Structure deposition date
2013-08-09
Thiol separation (Å)
8
Half-sphere exposure sum ?
95
Minimum pKa ?
13
% buried
90
Peptide accession
I7HD36
Residue number A
553
Residue number B
581
Peptide name
Sodium/potassium-transporting ATPase subunit alpha

Ligandability

Cysteine 553 of Sodium/potassium-transporting ATPase subunit alpha

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 Sodium/potassium-transporting ATPase subunit alpha

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/potassium-transporting ATPase subunit alpha between cysteines 915 and 987 (911 and 983 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
23
PDB code
3wgv
Structure name
crystal structure of a na+-bound na+,k+-atpase preceding the e1p state with oligomycin
Structure deposition date
2013-08-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
76
Minimum pKa ?
14
% buried
100
Peptide accession
I7HD36
Residue number A
915
Residue number B
987
Peptide name
Sodium/potassium-transporting ATPase subunit alpha

Ligandability

Cysteine 915 of Sodium/potassium-transporting ATPase subunit alpha

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 987 of Sodium/potassium-transporting ATPase subunit alpha

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: