ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Sodium/potassium-transporting ATPase subunit beta-1

Intramolecular
Cysteine 126 and cysteine 149
Cysteine 213 and cysteine 276
Cysteine 159 and cysteine 175
A redox-regulated disulphide may form within Sodium/potassium-transporting ATPase subunit beta-1 between cysteines 126 and 149.

Details

Redox score ?
86
PDB code
8d3y
Structure name
human alpha3 na+/k+-atpase in its exoplasmic side-open state
Structure deposition date
2022-06-01
Thiol separation (Å)
2
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05026
Residue number A
126
Residue number B
149
Peptide name
Sodium/potassium-transporting ATPase subunit beta-1

Ligandability

Cysteine 126 of Sodium/potassium-transporting ATPase subunit beta-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 149 of Sodium/potassium-transporting ATPase subunit beta-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/potassium-transporting ATPase subunit beta-1 between cysteines 213 and 276.

Details

Redox score ?
83
PDB code
7e21
Structure name
cryo em structure of a na+-bound na+,k+-atpase in the e1 state with atp-gamma-s
Structure deposition date
2021-02-04
Thiol separation (Å)
2
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05026
Residue number A
213
Residue number B
276
Peptide name
Sodium/potassium-transporting ATPase subunit beta-1

Ligandability

Cysteine 213 of Sodium/potassium-transporting ATPase subunit beta-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 276 of Sodium/potassium-transporting ATPase subunit beta-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/potassium-transporting ATPase subunit beta-1 between cysteines 159 and 175.

Details

Redox score ?
74
PDB code
8d3u
Structure name
human alpha3 na+/k+-atpase in its na+-occluded state
Structure deposition date
2022-06-01
Thiol separation (Å)
4
Half-sphere exposure sum ?
75
Minimum pKa ?
9
% buried
99
Peptide accession
P05026
Residue number A
159
Residue number B
175
Peptide name
Sodium/potassium-transporting ATPase subunit beta-1

Ligandability

Cysteine 159 of Sodium/potassium-transporting ATPase subunit beta-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 175 of Sodium/potassium-transporting ATPase subunit beta-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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