ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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b(0,+)-type amino acid transporter 1

Intermolecular
Cysteine 114 of Neutral and basic amino acid transport protein rBAT and cysteine 144
Intramolecular
Cysteine 137 and cysteine 153
Cysteine 129 and cysteine 321
A redox-regulated disulphide may form between cysteine 114 of Neutral and basic amino acid transport protein rBAT and cysteine 144 of b(0,+)-type amino acid transporter 1.

Details

Redox score ?
80
PDB code
6yup
Structure name
heterotetrameric structure of the rbat-b(0,+)at1 complex
Structure deposition date
2020-04-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
51
Minimum pKa ?
7
% buried
52
Peptide A name
Neutral and basic amino acid transport protein rBAT
Peptide B name
b(0,+)-type amino acid transporter 1
Peptide A accession
Q07837
Peptide B accession
P82251
Peptide A residue number
114
Peptide B residue number
144

Ligandability

Cysteine 114 of Neutral and basic amino acid transport protein rBAT

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 144 of b(0,+)-type amino acid transporter 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 b(0,+)-type amino acid transporter 1 between cysteines 137 and 153. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
6lid
Structure name
heteromeric amino acid transporter b0,+at-rbat complex
Structure deposition date
2019-12-10
Thiol separation (Å)
8
Half-sphere exposure sum ?
73
Minimum pKa ?
10
% buried
52
Peptide accession
P82251
Residue number A
137
Residue number B
153
Peptide name
b(0,+)-type amino acid transporter 1

Ligandability

Cysteine 137 of b(0,+)-type amino acid transporter 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 153 of b(0,+)-type amino acid transporter 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 b(0,+)-type amino acid transporter 1 between cysteines 129 and 321. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
6lid
Structure name
heteromeric amino acid transporter b0,+at-rbat complex
Structure deposition date
2019-12-10
Thiol separation (Å)
8
Half-sphere exposure sum ?
91
Minimum pKa ?
12
% buried
98
Peptide accession
P82251
Residue number A
129
Residue number B
321
Peptide name
b(0,+)-type amino acid transporter 1

Ligandability

Cysteine 129 of b(0,+)-type amino acid transporter 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 321 of b(0,+)-type amino acid transporter 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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