ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Solute carrier family 10 (Sodium/bile acid cotransporter family), member 1

Intramolecular
Cysteine 96 and cysteine 266
Cysteine 44 and cysteine 170
Cysteine 98 and cysteine 266
Cysteine 96 and cysteine 98
A redox-regulated disulphide may form within Solute carrier family 10 (Sodium/bile acid cotransporter family), member 1 between cysteines 96 and 266.

Details

Redox score ?
80
PDB code
7vae
Structure name
cryo-em structure of bovine ntcp complexed with yn69202fab
Structure deposition date
2021-08-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q2KJ85
Residue number A
96
Residue number B
266
Peptide name
Solute carrier family 10 (Sodium/bile acid cotransporter family), member 1

Ligandability

Cysteine 96 of Solute carrier family 10 (Sodium/bile acid cotransporter family), member 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 266 of Solute carrier family 10 (Sodium/bile acid cotransporter family), member 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 Solute carrier family 10 (Sodium/bile acid cotransporter family), member 1 between cysteines 44 and 170. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
7vae
Structure name
cryo-em structure of bovine ntcp complexed with yn69202fab
Structure deposition date
2021-08-29
Thiol separation (Å)
9
Half-sphere exposure sum ?
69
Minimum pKa ?
10
% buried
48
Peptide accession
Q2KJ85
Residue number A
44
Residue number B
170
Peptide name
Solute carrier family 10 (Sodium/bile acid cotransporter family), member 1

Ligandability

Cysteine 44 of Solute carrier family 10 (Sodium/bile acid cotransporter family), member 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 170 of Solute carrier family 10 (Sodium/bile acid cotransporter family), member 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 Solute carrier family 10 (Sodium/bile acid cotransporter family), member 1 between cysteines 98 and 266. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
7vae
Structure name
cryo-em structure of bovine ntcp complexed with yn69202fab
Structure deposition date
2021-08-29
Thiol separation (Å)
8
Half-sphere exposure sum ?
85
Minimum pKa ?
12
% buried
nan
Peptide accession
Q2KJ85
Residue number A
98
Residue number B
266
Peptide name
Solute carrier family 10 (Sodium/bile acid cotransporter family), member 1

Ligandability

Cysteine 98 of Solute carrier family 10 (Sodium/bile acid cotransporter family), member 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 266 of Solute carrier family 10 (Sodium/bile acid cotransporter family), member 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 Solute carrier family 10 (Sodium/bile acid cotransporter family), member 1 between cysteines 96 and 98. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
7vae
Structure name
cryo-em structure of bovine ntcp complexed with yn69202fab
Structure deposition date
2021-08-29
Thiol separation (Å)
9
Half-sphere exposure sum ?
91
Minimum pKa ?
12
% buried
nan
Peptide accession
Q2KJ85
Residue number A
96
Residue number B
98
Peptide name
Solute carrier family 10 (Sodium/bile acid cotransporter family), member 1

Ligandability

Cysteine 96 of Solute carrier family 10 (Sodium/bile acid cotransporter family), member 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 98 of Solute carrier family 10 (Sodium/bile acid cotransporter family), member 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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