ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

T-cell surface glycoprotein CD3 epsilon chain

Intermolecular
Cysteine 93 of T-cell surface glycoprotein CD3 delta chain and cysteine 122
Cysteine 119 and cysteine 93 of T-cell surface glycoprotein CD3 delta chain
Cysteine 122 and cysteine 107 of T-cell surface glycoprotein CD3 gamma chain
Cysteine 75 of Green fluorescent protein and cysteine 122
Cysteine 96 of T-cell surface glycoprotein CD3 delta chain and cysteine 122
Cysteine 122 and cysteine 104 of T-cell surface glycoprotein CD3 gamma chain
Cysteine 119 and cysteine 107 of T-cell surface glycoprotein CD3 gamma chain
Cysteine 119 and cysteine 104 of T-cell surface glycoprotein CD3 gamma chain
Cysteine 72 of Green fluorescent protein and cysteine 119
Cysteine 96 of T-cell surface glycoprotein CD3 delta chain and cysteine 119
More...
Intramolecular
Cysteine 49 and cysteine 98
Cysteine 119 and cysteine 122
Cysteine 49 and cysteine 65
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 122 of T-cell surface glycoprotein CD3 epsilon chain and cysteine 107 of T-cell surface glycoprotein CD3 gamma chain.

Details

Redox score ?
66
PDB code
7fjd
Structure name
cryo-em structure of a membrane protein(wt)
Structure deposition date
2021-08-03
Thiol separation (Å)
6
Half-sphere exposure sum ?
48
Minimum pKa ?
nan
% buried
nan
Peptide A name
T-cell surface glycoprotein CD3 epsilon chain
Peptide B name
T-cell surface glycoprotein CD3 gamma chain
Peptide A accession
P07766
Peptide B accession
P09693
Peptide A residue number
122
Peptide B residue number
107

Ligandability

Cysteine 122 of T-cell surface glycoprotein CD3 epsilon chain

Cysteine 107 of T-cell surface glycoprotein CD3 gamma chain

A redox-regulated disulphide may form between cysteine 75 of Green fluorescent protein and cysteine 122 of T-cell surface glycoprotein CD3 epsilon chain (75 and 100 respectively in this structure).

Details

Redox score ?
65
PDB code
7phr
Structure name
structure of a fully assembled t-cell receptor engaging a tumor- associated peptide-mhc i
Structure deposition date
2021-08-18
Thiol separation (Å)
5
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide A name
Green fluorescent protein
Peptide B name
T-cell surface glycoprotein CD3 epsilon chain
Peptide A accession
P42212
Peptide B accession
P07766
Peptide A residue number
75
Peptide B residue number
122

Ligandability

Cysteine 75 of Green fluorescent protein

Cysteine 122 of T-cell surface glycoprotein CD3 epsilon chain

Cysteine 75 in protein A could not be asigned to a Uniprot residue.
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 122 of T-cell surface glycoprotein CD3 epsilon chain and cysteine 104 of T-cell surface glycoprotein CD3 gamma chain.

Details

Redox score ?
64
PDB code
7fjf
Structure name
cryo-em structure of a membrane protein(cs)
Structure deposition date
2021-08-03
Thiol separation (Å)
6
Half-sphere exposure sum ?
45
Minimum pKa ?
nan
% buried
nan
Peptide A name
T-cell surface glycoprotein CD3 epsilon chain
Peptide B name
T-cell surface glycoprotein CD3 gamma chain
Peptide A accession
P07766
Peptide B accession
P09693
Peptide A residue number
122
Peptide B residue number
104

Ligandability

Cysteine 122 of T-cell surface glycoprotein CD3 epsilon chain

Cysteine 104 of T-cell surface glycoprotein CD3 gamma chain

A redox-regulated disulphide may form between cysteine 119 of T-cell surface glycoprotein CD3 epsilon chain and cysteine 107 of T-cell surface glycoprotein CD3 gamma chain.

Details

Redox score ?
63
PDB code
6jxr
Structure name
structure of human t cell receptor-cd3 complex
Structure deposition date
2019-04-24
Thiol separation (Å)
6
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide A name
T-cell surface glycoprotein CD3 epsilon chain
Peptide B name
T-cell surface glycoprotein CD3 gamma chain
Peptide A accession
P07766
Peptide B accession
P09693
Peptide A residue number
119
Peptide B residue number
107

Ligandability

Cysteine 119 of T-cell surface glycoprotein CD3 epsilon chain

Cysteine 107 of T-cell surface glycoprotein CD3 gamma chain

A redox-regulated disulphide may form between cysteine 119 of T-cell surface glycoprotein CD3 epsilon chain and cysteine 104 of T-cell surface glycoprotein CD3 gamma chain.

Details

Redox score ?
63
PDB code
6jxr
Structure name
structure of human t cell receptor-cd3 complex
Structure deposition date
2019-04-24
Thiol separation (Å)
6
Half-sphere exposure sum ?
54
Minimum pKa ?
nan
% buried
nan
Peptide A name
T-cell surface glycoprotein CD3 epsilon chain
Peptide B name
T-cell surface glycoprotein CD3 gamma chain
Peptide A accession
P07766
Peptide B accession
P09693
Peptide A residue number
119
Peptide B residue number
104

Ligandability

Cysteine 119 of T-cell surface glycoprotein CD3 epsilon chain

Cysteine 104 of T-cell surface glycoprotein CD3 gamma chain

A redox-regulated disulphide may form between cysteine 72 of Green fluorescent protein and cysteine 119 of T-cell surface glycoprotein CD3 epsilon chain (72 and 97 respectively in this structure).

Details

Redox score ?
62
PDB code
7phr
Structure name
structure of a fully assembled t-cell receptor engaging a tumor- associated peptide-mhc i
Structure deposition date
2021-08-18
Thiol separation (Å)
6
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide A name
Green fluorescent protein
Peptide B name
T-cell surface glycoprotein CD3 epsilon chain
Peptide A accession
P42212
Peptide B accession
P07766
Peptide A residue number
72
Peptide B residue number
119

Ligandability

Cysteine 72 of Green fluorescent protein

Cysteine 119 of T-cell surface glycoprotein CD3 epsilon chain

Cysteine 72 in protein A could not be asigned to a Uniprot residue.
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 epsilon chain between cysteines 49 and 98 (134 and 183 respectively in this structure).

Details

Redox score ?
82
PDB code
1sy6
Structure name
crystal structure of cd3gammaepsilon heterodimer in complex with okt3 fab fragment
Structure deposition date
2004-03-31
Thiol separation (Å)
2
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07766
Residue number A
49
Residue number B
98
Peptide name
T-cell surface glycoprotein CD3 epsilon chain

Ligandability

Cysteine 49 of T-cell surface glycoprotein CD3 epsilon chain

Cysteine 98 of T-cell surface glycoprotein CD3 epsilon chain

A redox-regulated disulphide may form within T-cell surface glycoprotein CD3 epsilon chain between cysteines 119 and 122 (98 and 101 respectively in this structure).

Details

Redox score ?
63
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)
6
Half-sphere exposure sum ?
39
Minimum pKa ?
9
% buried
nan
Peptide accession
P07766
Residue number A
119
Residue number B
122
Peptide name
T-cell surface glycoprotein CD3 epsilon chain

Ligandability

Cysteine 119 of T-cell surface glycoprotein CD3 epsilon chain

Cysteine 122 of T-cell surface glycoprotein CD3 epsilon chain

A redox-regulated disulphide may form within T-cell surface glycoprotein CD3 epsilon chain between cysteines 49 and 65 (24 and 65 respectively in this structure).

Details

Redox score ?
nan
PDB code
1sy6
Structure name
crystal structure of cd3gammaepsilon heterodimer in complex with okt3 fab fragment
Structure deposition date
2004-03-31
Thiol separation (Å)
2
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide accession
P07766
Residue number A
49
Residue number B
65
Peptide name
T-cell surface glycoprotein CD3 epsilon chain

Ligandability

Cysteine 49 of T-cell surface glycoprotein CD3 epsilon chain

Cysteine 65 of T-cell surface glycoprotein CD3 epsilon chain

Cysteine 65 in protein B could not be asigned to a Uniprot residue.
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