ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

T-cell surface glycoprotein CD3 delta chain

Intermolecular
Cysteine 93 and cysteine 122 of T-cell surface glycoprotein CD3 epsilon chain
Cysteine 119 of T-cell surface glycoprotein CD3 epsilon chain and cysteine 93
Cysteine 96 and cysteine 122 of T-cell surface glycoprotein CD3 epsilon chain
Cysteine 96 and cysteine 119 of T-cell surface glycoprotein CD3 epsilon chain
Intramolecular
Cysteine 37 and cysteine 73
Cysteine 93 and cysteine 96
Cysteine 9 and cysteine 73
A redox-regulated disulphide may form between cysteine 93 of T-cell surface glycoprotein CD3 delta chain and cysteine 122 of T-cell surface glycoprotein CD3 epsilon chain.

Details

Redox score ?
73
PDB code
7fjd
Structure name
cryo-em structure of a membrane protein(wt)
Structure deposition date
2021-08-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
60
Minimum pKa ?
10
% buried
nan
Peptide A name
T-cell surface glycoprotein CD3 delta chain
Peptide B name
T-cell surface glycoprotein CD3 epsilon chain
Peptide A accession
P04234
Peptide B accession
P07766
Peptide A residue number
93
Peptide B residue number
122

Ligandability

Cysteine 93 of T-cell surface glycoprotein CD3 delta chain

Cysteine 122 of T-cell surface glycoprotein CD3 epsilon chain

A redox-regulated disulphide may form between cysteine 119 of T-cell surface glycoprotein CD3 epsilon chain and cysteine 93 of T-cell surface glycoprotein CD3 delta chain (98 and 72 respectively in this structure).

Details

Redox score ?
70
PDB code
1xiw
Structure name
crystal structure of human cd3-e/d dimer in complex with a ucht1 single-chain antibody fragment
Structure deposition date
2004-09-22
Thiol separation (Å)
5
Half-sphere exposure sum ?
43
Minimum pKa ?
9
% buried
nan
Peptide A name
T-cell surface glycoprotein CD3 epsilon chain
Peptide B name
T-cell surface glycoprotein CD3 delta chain
Peptide A accession
P07766
Peptide B accession
P04234
Peptide A residue number
119
Peptide B residue number
93

Ligandability

Cysteine 119 of T-cell surface glycoprotein CD3 epsilon chain

Cysteine 93 of T-cell surface glycoprotein CD3 delta chain

A redox-regulated disulphide may form between cysteine 96 of T-cell surface glycoprotein CD3 delta chain and cysteine 122 of T-cell surface glycoprotein CD3 epsilon chain.

Details

Redox score ?
64
PDB code
6jxr
Structure name
structure of human t cell receptor-cd3 complex
Structure deposition date
2019-04-24
Thiol separation (Å)
5
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide A name
T-cell surface glycoprotein CD3 delta chain
Peptide B name
T-cell surface glycoprotein CD3 epsilon chain
Peptide A accession
P04234
Peptide B accession
P07766
Peptide A residue number
96
Peptide B residue number
122

Ligandability

Cysteine 96 of T-cell surface glycoprotein CD3 delta chain

Cysteine 122 of T-cell surface glycoprotein CD3 epsilon chain

A redox-regulated disulphide may form between cysteine 96 of T-cell surface glycoprotein CD3 delta chain and cysteine 119 of T-cell surface glycoprotein CD3 epsilon chain. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
7fje
Structure name
cryo-em structure of a membrane protein(ll)
Structure deposition date
2021-08-03
Thiol separation (Å)
8
Half-sphere exposure sum ?
63
Minimum pKa ?
10
% buried
nan
Peptide A name
T-cell surface glycoprotein CD3 delta chain
Peptide B name
T-cell surface glycoprotein CD3 epsilon chain
Peptide A accession
P04234
Peptide B accession
P07766
Peptide A residue number
96
Peptide B residue number
119

Ligandability

Cysteine 96 of T-cell surface glycoprotein CD3 delta chain

Cysteine 119 of T-cell surface glycoprotein CD3 epsilon chain

A redox-regulated disulphide may form within T-cell surface glycoprotein CD3 delta chain between cysteines 37 and 73 (16 and 52 respectively in this structure).

Details

Redox score ?
85
PDB code
1xiw
Structure name
crystal structure of human cd3-e/d dimer in complex with a ucht1 single-chain antibody fragment
Structure deposition date
2004-09-22
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P04234
Residue number A
37
Residue number B
73
Peptide name
T-cell surface glycoprotein CD3 delta chain

Ligandability

Cysteine 37 of T-cell surface glycoprotein CD3 delta chain

Cysteine 73 of T-cell surface glycoprotein CD3 delta chain

A redox-regulated disulphide may form within T-cell surface glycoprotein CD3 delta chain between cysteines 93 and 96.

Details

Redox score ?
79
PDB code
6jxr
Structure name
structure of human t cell receptor-cd3 complex
Structure deposition date
2019-04-24
Thiol separation (Å)
2
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide accession
P04234
Residue number A
93
Residue number B
96
Peptide name
T-cell surface glycoprotein CD3 delta chain

Ligandability

Cysteine 93 of T-cell surface glycoprotein CD3 delta chain

Cysteine 96 of T-cell surface glycoprotein CD3 delta chain

A redox-regulated disulphide may form within T-cell surface glycoprotein CD3 delta chain between cysteines 9 and 73 (21 and 62 respectively in this structure).

Details

Redox score ?
nan
PDB code
1xmw
Structure name
cd3 epsilon and delta ectodomain fragment complex in single-chain construct
Structure deposition date
2004-10-04
Thiol separation (Å)
2
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide accession
P18438
Residue number A
9
Residue number B
73
Peptide name
T-cell surface glycoprotein CD3 delta chain

Ligandability

Cysteine 9 of T-cell surface glycoprotein CD3 delta chain

Cysteine 73 of T-cell surface glycoprotein CD3 delta chain

Uncertain whether structure cysteine 21 has been assigned to correct residue.
Uncertain whether structure cysteine 62 has been assigned to correct residue.
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