ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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TRA@ protein

Intermolecular
Cysteine 166 and cysteine 176 of Human nkt tcr beta chain
Intramolecular
Cysteine 123 and cysteine 173
A redox-regulated disulphide may form between cysteine 166 of TRA@ protein and cysteine 176 of Human nkt tcr beta chain (166 and 173 respectively in this structure).

Details

Redox score ?
80
PDB code
6u07
Structure name
computational stabilization of t cell receptor constant domains
Structure deposition date
2019-08-13
Thiol separation (Å)
2
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide A name
TRA@ protein
Peptide B name
Human nkt tcr beta chain
Peptide A accession
Q2YD82
Peptide B accession
K7N5M4
Peptide A residue number
166
Peptide B residue number
176

Ligandability

Cysteine 166 of TRA@ protein

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 176 of Human nkt tcr beta chain

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 in protein A could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within TRA@ protein between cysteines 123 and 173 (141 and 191 respectively in this structure).

Details

Redox score ?
80
PDB code
6u07
Structure name
computational stabilization of t cell receptor constant domains
Structure deposition date
2019-08-13
Thiol separation (Å)
2
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q2YD82
Residue number A
123
Residue number B
173
Peptide name
TRA@ protein

Ligandability

Cysteine 123 of TRA@ protein

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 173 of TRA@ protein

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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