ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

T cell receptor beta constant 1

Intermolecular
Cysteine 161 of T-cell receptor, sp3.4 alpha chain and cysteine 168
Intramolecular
Cysteine 30 and cysteine 95
Cysteine 30 and cysteine 74
Cysteine 23 and cysteine 104
A redox-regulated disulphide may form between cysteine 161 of T-cell receptor, sp3.4 alpha chain and cysteine 168 of T cell receptor beta constant 1 (159 and 168 respectively in this structure).

Details

Redox score ?
78
PDB code
4mnq
Structure name
tcr-peptide specificity overrides affinity enhancing tcr-mhc interactions
Structure deposition date
2013-09-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
83
Minimum pKa ?
nan
% buried
nan
Peptide A name
T-cell receptor, sp3
Peptide B name
T cell receptor beta constant 1
Peptide A accession
K7N5M9
Peptide B accession
P01850
Peptide A residue number
161
Peptide B residue number
168

Ligandability

Cysteine 161 of T-cell receptor, sp3.4 alpha chain

Cysteine 168 of T cell receptor beta constant 1

Cysteine 168 in protein B could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within T cell receptor beta constant 1 between cysteines 30 and 95 (145 and 210 respectively in this structure).

Details

Redox score ?
78
PDB code
2xn9
Structure name
crystal structure of the ternary complex between human t cell receptor, staphylococcal enterotoxin h and human major histocompatibility complex class ii
Structure deposition date
2010-07-31
Thiol separation (Å)
2
Half-sphere exposure sum ?
91
Minimum pKa ?
nan
% buried
nan
Peptide accession
P01850
Residue number A
30
Residue number B
95
Peptide name
T cell receptor beta constant 1

Ligandability

Cysteine 30 of T cell receptor beta constant 1

Cysteine 95 of T cell receptor beta constant 1

A redox-regulated disulphide may form within T cell receptor beta constant 1 between cysteines 30 and 74 (25 and 93 respectively in this structure).

Details

Redox score ?
nan
PDB code
2xna
Structure name
crystal structure of the complex between human t cell receptor and staphylococcal enterotoxin
Structure deposition date
2010-07-31
Thiol separation (Å)
2
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide accession
P01850
Residue number A
30
Residue number B
74
Peptide name
T cell receptor beta constant 1

Ligandability

Cysteine 30 of T cell receptor beta constant 1

Cysteine 74 of T cell receptor beta constant 1

Uncertain whether structure cysteine 25 has been assigned to correct residue.
Uncertain whether structure cysteine 93 has been assigned to correct residue.
A redox-regulated disulphide may form within T cell receptor beta constant 1 between cysteines 23 and 104.

Details

Redox score ?
nan
PDB code
7t2c
Structure name
crystal structure of the b5 tcr in complex with hla-dp4-ply
Structure deposition date
2021-12-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
90
Minimum pKa ?
nan
% buried
nan
Peptide accession
P01850
Residue number A
23
Residue number B
104
Peptide name
T cell receptor beta constant 1

Ligandability

Cysteine 23 of T cell receptor beta constant 1

Cysteine 104 of T cell receptor beta constant 1

Cysteine 23 in protein A could not be asigned to a Uniprot residue.
Cysteine 104 in protein B could not be asigned to a Uniprot residue.
If this tool was useful for finding a disulphide, please cite: