ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Human nkt tcr alpha chain

Intermolecular
Cysteine 164 and cysteine 168 of T cell receptor beta constant 2
Cysteine 164 and cysteine 176 of Human nkt tcr beta chain
Cysteine 80 and cysteine 176 of Human nkt tcr beta chain
Intramolecular
Cysteine 26 and cysteine 92
Cysteine 139 and cysteine 189
A redox-regulated disulphide may form between cysteine 164 of Human nkt tcr alpha chain and cysteine 168 of T cell receptor beta constant 2 (162 and 168 respectively in this structure).

Details

Redox score ?
79
PDB code
6mjq
Structure name
crystal structure of the mcd1d/xxp (jj295) /inktcr ternary complex
Structure deposition date
2018-09-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide A name
Human nkt tcr alpha chain
Peptide B name
T cell receptor beta constant 2
Peptide A accession
K7N5M3
Peptide B accession
A0A5B9
Peptide A residue number
164
Peptide B residue number
168

Ligandability

Cysteine 164 of Human nkt tcr alpha chain

Cysteine 168 of T cell receptor beta constant 2

Cysteine 168 in protein B could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form between cysteine 164 of Human nkt tcr alpha chain and cysteine 176 of Human nkt tcr beta chain (157 and 172 respectively in this structure).

Details

Redox score ?
79
PDB code
6d78
Structure name
the complex between high-affinity tcr dmf5(alpha-d26y,beta-l98w) and human class i mhc hla-a2 with the bound mart-1(27-35)peptide
Structure deposition date
2018-04-24
Thiol separation (Å)
2
Half-sphere exposure sum ?
71
Minimum pKa ?
nan
% buried
nan
Peptide A name
Human nkt tcr alpha chain
Peptide B name
Human nkt tcr beta chain
Peptide A accession
K7N5M3
Peptide B accession
K7N5M4
Peptide A residue number
164
Peptide B residue number
176

Ligandability

Cysteine 164 of Human nkt tcr alpha chain

Cysteine 176 of Human nkt tcr beta chain

A redox-regulated disulphide may form between cysteine 80 of Human nkt tcr alpha chain and cysteine 176 of Human nkt tcr beta chain (80 and 170 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
5wlg
Structure name
crystal structure of h-2db with the gap501 peptide (sql)
Structure deposition date
2017-07-26
Thiol separation (Å)
10
Half-sphere exposure sum ?
65
Minimum pKa ?
12
% buried
nan
Peptide A name
Human nkt tcr alpha chain
Peptide B name
Human nkt tcr beta chain
Peptide A accession
K7N5M3
Peptide B accession
K7N5M4
Peptide A residue number
80
Peptide B residue number
176

Ligandability

Cysteine 80 of Human nkt tcr alpha chain

Cysteine 176 of Human nkt tcr beta chain

Cysteine 80 in protein A could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within Human nkt tcr alpha chain between cysteines 26 and 92 (22 and 89 respectively in this structure).

Details

Redox score ?
82
PDB code
5wlg
Structure name
crystal structure of h-2db with the gap501 peptide (sql)
Structure deposition date
2017-07-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
79
Minimum pKa ?
nan
% buried
nan
Peptide accession
K7N5M3
Residue number A
26
Residue number B
92
Peptide name
Human nkt tcr alpha chain

Ligandability

Cysteine 26 of Human nkt tcr alpha chain

Cysteine 92 of Human nkt tcr alpha chain

A redox-regulated disulphide may form within Human nkt tcr alpha chain between cysteines 139 and 189 (132 and 182 respectively in this structure).

Details

Redox score ?
76
PDB code
5wlg
Structure name
crystal structure of h-2db with the gap501 peptide (sql)
Structure deposition date
2017-07-26
Thiol separation (Å)
3
Half-sphere exposure sum ?
66
Minimum pKa ?
9
% buried
44
Peptide accession
K7N5M3
Residue number A
139
Residue number B
189
Peptide name
Human nkt tcr alpha chain

Ligandability

Cysteine 139 of Human nkt tcr alpha chain

Cysteine 189 of Human nkt tcr alpha chain

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