ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Sodium-dependent neutral amino acid transporter B(0)AT1

Intramolecular
Cysteine 336 and cysteine 383
Cysteine 153 and cysteine 166
Cysteine 200 and cysteine 203
Cysteine 45 and cysteine 49
Cysteine 211 and cysteine 426
A redox-regulated disulphide may form within Sodium-dependent neutral amino acid transporter B(0)AT1 between cysteines 336 and 383.

Details

Redox score ?
87
PDB code
6m18
Structure name
ace2-b0at1 complex
Structure deposition date
2020-02-25
Thiol separation (Å)
2
Half-sphere exposure sum ?
42
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q695T7
Residue number A
336
Residue number B
383
Peptide name
Sodium-dependent neutral amino acid transporter B(0)AT1

Ligandability

Cysteine 336 of Sodium-dependent neutral amino acid transporter B(0)AT1

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 383 of Sodium-dependent neutral amino acid transporter B(0)AT1

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-dependent neutral amino acid transporter B(0)AT1 between cysteines 153 and 166.

Details

Redox score ?
86
PDB code
6m18
Structure name
ace2-b0at1 complex
Structure deposition date
2020-02-25
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q695T7
Residue number A
153
Residue number B
166
Peptide name
Sodium-dependent neutral amino acid transporter B(0)AT1

Ligandability

Cysteine 153 of Sodium-dependent neutral amino acid transporter B(0)AT1

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 166 of Sodium-dependent neutral amino acid transporter B(0)AT1

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-dependent neutral amino acid transporter B(0)AT1 between cysteines 200 and 203.

Details

Redox score ?
66
PDB code
6m1d
Structure name
ace2-b0at1 complex, open conformation
Structure deposition date
2020-02-25
Thiol separation (Å)
5
Half-sphere exposure sum ?
71
Minimum pKa ?
8
% buried
88
Peptide accession
Q695T7
Residue number A
200
Residue number B
203
Peptide name
Sodium-dependent neutral amino acid transporter B(0)AT1

Ligandability

Cysteine 200 of Sodium-dependent neutral amino acid transporter B(0)AT1

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 203 of Sodium-dependent neutral amino acid transporter B(0)AT1

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-dependent neutral amino acid transporter B(0)AT1 between cysteines 45 and 49. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
6m1d
Structure name
ace2-b0at1 complex, open conformation
Structure deposition date
2020-02-25
Thiol separation (Å)
7
Half-sphere exposure sum ?
81
Minimum pKa ?
11
% buried
100
Peptide accession
Q695T7
Residue number A
45
Residue number B
49
Peptide name
Sodium-dependent neutral amino acid transporter B(0)AT1

Ligandability

Cysteine 45 of Sodium-dependent neutral amino acid transporter B(0)AT1

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 49 of Sodium-dependent neutral amino acid transporter B(0)AT1

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-dependent neutral amino acid transporter B(0)AT1 between cysteines 211 and 426. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
6m17
Structure name
the 2019-ncov rbd/ace2-b0at1 complex
Structure deposition date
2020-02-24
Thiol separation (Å)
10
Half-sphere exposure sum ?
75
Minimum pKa ?
11
% buried
77
Peptide accession
Q695T7
Residue number A
211
Residue number B
426
Peptide name
Sodium-dependent neutral amino acid transporter B(0)AT1

Ligandability

Cysteine 211 of Sodium-dependent neutral amino acid transporter B(0)AT1

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 426 of Sodium-dependent neutral amino acid transporter B(0)AT1

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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