ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Potassium-transporting ATPase subunit beta

Intramolecular
Cysteine 131 and cysteine 152
Cysteine 201 and cysteine 262
Cysteine 162 and cysteine 178
A redox-regulated disulphide may form within Potassium-transporting ATPase subunit beta between cysteines 131 and 152.

Details

Redox score ?
87
PDB code
7w47
Structure name
crystal structure of the gastric proton pump complexed with tegoprazan
Structure deposition date
2021-11-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18434
Residue number A
131
Residue number B
152
Peptide name
Potassium-transporting ATPase subunit beta

Ligandability

Cysteine 131 of Potassium-transporting ATPase subunit beta

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 152 of Potassium-transporting ATPase subunit beta

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 Potassium-transporting ATPase subunit beta between cysteines 201 and 262.

Details

Redox score ?
83
PDB code
6jxk
Structure name
rb+-bound e2-mgf state of the gastric proton pump (wild-type)
Structure deposition date
2019-04-23
Thiol separation (Å)
2
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18434
Residue number A
201
Residue number B
262
Peptide name
Potassium-transporting ATPase subunit beta

Ligandability

Cysteine 201 of Potassium-transporting ATPase subunit beta

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 262 of Potassium-transporting ATPase subunit beta

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 Potassium-transporting ATPase subunit beta between cysteines 162 and 178.

Details

Redox score ?
77
PDB code
7efm
Structure name
crystal structure of the gastric proton pump k791s/e820d/y340n in (byk)e2bef state
Structure deposition date
2021-03-22
Thiol separation (Å)
3
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18434
Residue number A
162
Residue number B
178
Peptide name
Potassium-transporting ATPase subunit beta

Ligandability

Cysteine 162 of Potassium-transporting ATPase subunit beta

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 178 of Potassium-transporting ATPase subunit beta

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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