ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Tumor necrosis factor receptor superfamily member 1A

Intramolecular
Cysteine 146 and cysteine 158
Cysteine 182 and cysteine 195
Cysteine 84 and cysteine 99
Cysteine 62 and cysteine 81
Cysteine 185 and cysteine 191
Cysteine 59 and cysteine 72
Cysteine 105 and cysteine 125
Cysteine 102 and cysteine 117
Cysteine 127 and cysteine 143
Cysteine 149 and cysteine 166
More...
Cysteine 168 and cysteine 179
Cysteine 44 and cysteine 58
Cysteine 166 and cysteine 179
Cysteine 185 and cysteine 195
Cysteine 191 and cysteine 195
Cysteine 182 and cysteine 185
Cysteine 166 and cysteine 168
Cysteine 149 and cysteine 179
Cysteine 182 and cysteine 191
Cysteine 58 and cysteine 59
Cysteine 149 and cysteine 168
Cysteine 84 and cysteine 102
Cysteine 72 and cysteine 81
Cysteine 84 and cysteine 117
Cysteine 81 and cysteine 84
Cysteine 149 and cysteine 158
Cysteine 168 and cysteine 182
Cysteine 81 and cysteine 99
Cysteine 58 and cysteine 72
Cysteine 44 and cysteine 59
Cysteine 44 and cysteine 72
Cysteine 127 and cysteine 146
Cysteine 105 and cysteine 117
Cysteine 125 and cysteine 143
Cysteine 62 and cysteine 72
Cysteine 117 and cysteine 125
Cysteine 168 and cysteine 195
Cysteine 99 and cysteine 117
Cysteine 62 and cysteine 99
Cysteine 146 and cysteine 149
A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 146 and 158 (117 and 129 respectively in this structure).

Details

Redox score ?
89
PDB code
1tnr
Structure name
crystal structure of the soluble human 55 kd tnf receptor-human tnf- beta complex: implications for tnf receptor activation
Structure deposition date
1994-05-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
146
Residue number B
158
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 146 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 158 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 182 and 195 (153 and 166 respectively in this structure).

Details

Redox score ?
88
PDB code
1ext
Structure name
extracellular domain of the 55kda tumor necrosis factor receptor
Structure deposition date
1996-07-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
54
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
182
Residue number B
195
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 182 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 195 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 84 and 99 (55 and 70 respectively in this structure).

Details

Redox score ?
87
PDB code
7kpb
Structure name
mtnf-alpha htnfr1 complex
Structure deposition date
2020-11-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
84
Residue number B
99
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 84 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 99 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 62 and 81 (33 and 52 respectively in this structure).

Details

Redox score ?
87
PDB code
7kpb
Structure name
mtnf-alpha htnfr1 complex
Structure deposition date
2020-11-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
62
Residue number B
81
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 62 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 81 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 185 and 191 (156 and 162 respectively in this structure).

Details

Redox score ?
86
PDB code
1ext
Structure name
extracellular domain of the 55kda tumor necrosis factor receptor
Structure deposition date
1996-07-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
185
Residue number B
191
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 185 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 191 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 59 and 72 (30 and 43 respectively in this structure).

Details

Redox score ?
86
PDB code
1tnr
Structure name
crystal structure of the soluble human 55 kd tnf receptor-human tnf- beta complex: implications for tnf receptor activation
Structure deposition date
1994-05-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
59
Residue number B
72
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 59 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 72 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 105 and 125 (76 and 96 respectively in this structure).

Details

Redox score ?
86
PDB code
7kpb
Structure name
mtnf-alpha htnfr1 complex
Structure deposition date
2020-11-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
105
Residue number B
125
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 105 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 125 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 102 and 117 (73 and 88 respectively in this structure).

Details

Redox score ?
85
PDB code
7kp7
Structure name
asymmetric mtnf-alpha htnfr1 complex
Structure deposition date
2020-11-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
102
Residue number B
117
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 102 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 117 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 127 and 143 (98 and 114 respectively in this structure).

Details

Redox score ?
85
PDB code
7kp8
Structure name
asymmetric mtnf-alpha htnfr1 complex
Structure deposition date
2020-11-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
127
Residue number B
143
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 127 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 143 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 149 and 166 (120 and 137 respectively in this structure).

Details

Redox score ?
85
PDB code
1ft4
Structure name
photochemically-enhanced binding of small molecules to the tumor necrosis factor receptor-1
Structure deposition date
2000-09-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
149
Residue number B
166
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 149 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 166 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 168 and 179 (139 and 150 respectively in this structure).

Details

Redox score ?
85
PDB code
1ft4
Structure name
photochemically-enhanced binding of small molecules to the tumor necrosis factor receptor-1
Structure deposition date
2000-09-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
168
Residue number B
179
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 168 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 179 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 44 and 58 (15 and 29 respectively in this structure).

Details

Redox score ?
82
PDB code
1ext
Structure name
extracellular domain of the 55kda tumor necrosis factor receptor
Structure deposition date
1996-07-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
44
Residue number B
58
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 44 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 58 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 166 and 179 (137 and 150 respectively in this structure).

Details

Redox score ?
76
PDB code
1ext
Structure name
extracellular domain of the 55kda tumor necrosis factor receptor
Structure deposition date
1996-07-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
166
Residue number B
179
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 166 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 179 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 185 and 195 (156 and 166 respectively in this structure).

Details

Redox score ?
74
PDB code
1ext
Structure name
extracellular domain of the 55kda tumor necrosis factor receptor
Structure deposition date
1996-07-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
185
Residue number B
195
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 185 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 195 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 191 and 195 (162 and 166 respectively in this structure).

Details

Redox score ?
73
PDB code
1ext
Structure name
extracellular domain of the 55kda tumor necrosis factor receptor
Structure deposition date
1996-07-03
Thiol separation (Å)
5
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
191
Residue number B
195
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 191 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 195 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 182 and 185 (153 and 156 respectively in this structure).

Details

Redox score ?
64
PDB code
1ext
Structure name
extracellular domain of the 55kda tumor necrosis factor receptor
Structure deposition date
1996-07-03
Thiol separation (Å)
6
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
182
Residue number B
185
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 182 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 185 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 166 and 168 (137 and 139 respectively in this structure).

Details

Redox score ?
64
PDB code
7kp8
Structure name
asymmetric mtnf-alpha htnfr1 complex
Structure deposition date
2020-11-10
Thiol separation (Å)
6
Half-sphere exposure sum ?
36
Minimum pKa ?
9
% buried
nan
Peptide accession
P19438
Residue number A
166
Residue number B
168
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 166 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 168 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 149 and 179 (120 and 150 respectively in this structure).

Details

Redox score ?
60
PDB code
7kp7
Structure name
asymmetric mtnf-alpha htnfr1 complex
Structure deposition date
2020-11-10
Thiol separation (Å)
7
Half-sphere exposure sum ?
54
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
149
Residue number B
179
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 149 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 179 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 182 and 191 (153 and 162 respectively in this structure).

Details

Redox score ?
60
PDB code
1ext
Structure name
extracellular domain of the 55kda tumor necrosis factor receptor
Structure deposition date
1996-07-03
Thiol separation (Å)
7
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
182
Residue number B
191
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 182 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 191 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 58 and 59 (29 and 30 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
59
PDB code
7kp8
Structure name
asymmetric mtnf-alpha htnfr1 complex
Structure deposition date
2020-11-10
Thiol separation (Å)
6
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
58
Residue number B
59
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 58 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 59 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 149 and 168 (120 and 139 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
7kp7
Structure name
asymmetric mtnf-alpha htnfr1 complex
Structure deposition date
2020-11-10
Thiol separation (Å)
8
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
149
Residue number B
168
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 149 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 168 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 84 and 102 (55 and 73 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
1ncf
Structure name
a new paradigm for tumor necrosis factor signalling
Structure deposition date
1994-10-12
Thiol separation (Å)
9
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
84
Residue number B
102
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 84 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 102 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 72 and 81 (43 and 52 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
7kp8
Structure name
asymmetric mtnf-alpha htnfr1 complex
Structure deposition date
2020-11-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
72
Residue number B
81
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 72 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 81 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 84 and 117 (55 and 88 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
7kpb
Structure name
mtnf-alpha htnfr1 complex
Structure deposition date
2020-11-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
84
Residue number B
117
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 84 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 117 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 81 and 84 (52 and 55 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
7kp8
Structure name
asymmetric mtnf-alpha htnfr1 complex
Structure deposition date
2020-11-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
81
Residue number B
84
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 81 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 84 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 149 and 158 (120 and 129 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
1ft4
Structure name
photochemically-enhanced binding of small molecules to the tumor necrosis factor receptor-1
Structure deposition date
2000-09-11
Thiol separation (Å)
9
Half-sphere exposure sum ?
44
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
149
Residue number B
158
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 149 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 158 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 168 and 182 (139 and 153 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
1ext
Structure name
extracellular domain of the 55kda tumor necrosis factor receptor
Structure deposition date
1996-07-03
Thiol separation (Å)
9
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
168
Residue number B
182
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 168 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 182 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 81 and 99 (52 and 70 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
7kp8
Structure name
asymmetric mtnf-alpha htnfr1 complex
Structure deposition date
2020-11-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
72
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
81
Residue number B
99
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 81 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 99 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 58 and 72 (29 and 43 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
1ft4
Structure name
photochemically-enhanced binding of small molecules to the tumor necrosis factor receptor-1
Structure deposition date
2000-09-11
Thiol separation (Å)
8
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
58
Residue number B
72
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 58 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 72 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 44 and 59 (15 and 30 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
1ext
Structure name
extracellular domain of the 55kda tumor necrosis factor receptor
Structure deposition date
1996-07-03
Thiol separation (Å)
8
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
44
Residue number B
59
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 44 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 59 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 44 and 72 (15 and 43 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
1ncf
Structure name
a new paradigm for tumor necrosis factor signalling
Structure deposition date
1994-10-12
Thiol separation (Å)
9
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
44
Residue number B
72
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 44 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 72 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 127 and 146 (98 and 117 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
1ft4
Structure name
photochemically-enhanced binding of small molecules to the tumor necrosis factor receptor-1
Structure deposition date
2000-09-11
Thiol separation (Å)
9
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
127
Residue number B
146
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 127 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 146 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 105 and 117 (76 and 88 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
1ft4
Structure name
photochemically-enhanced binding of small molecules to the tumor necrosis factor receptor-1
Structure deposition date
2000-09-11
Thiol separation (Å)
9
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
105
Residue number B
117
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 105 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 117 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 125 and 143 (96 and 114 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
7kp8
Structure name
asymmetric mtnf-alpha htnfr1 complex
Structure deposition date
2020-11-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
125
Residue number B
143
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 125 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 143 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 62 and 72 (33 and 43 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
7kp8
Structure name
asymmetric mtnf-alpha htnfr1 complex
Structure deposition date
2020-11-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
62
Residue number B
72
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 62 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 72 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 117 and 125 (88 and 96 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
1ft4
Structure name
photochemically-enhanced binding of small molecules to the tumor necrosis factor receptor-1
Structure deposition date
2000-09-11
Thiol separation (Å)
9
Half-sphere exposure sum ?
54
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
117
Residue number B
125
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 117 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 125 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 168 and 195 (139 and 166 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
1ext
Structure name
extracellular domain of the 55kda tumor necrosis factor receptor
Structure deposition date
1996-07-03
Thiol separation (Å)
10
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
168
Residue number B
195
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 168 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 195 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 99 and 117 (70 and 88 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
1ncf
Structure name
a new paradigm for tumor necrosis factor signalling
Structure deposition date
1994-10-12
Thiol separation (Å)
10
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
99
Residue number B
117
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 99 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 117 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 62 and 99 (33 and 70 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
1ncf
Structure name
a new paradigm for tumor necrosis factor signalling
Structure deposition date
1994-10-12
Thiol separation (Å)
9
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
62
Residue number B
99
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 62 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 99 of Tumor necrosis factor receptor superfamily member 1A

A redox-regulated disulphide may form within Tumor necrosis factor receptor superfamily member 1A between cysteines 146 and 149 (117 and 120 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
7kp7
Structure name
asymmetric mtnf-alpha htnfr1 complex
Structure deposition date
2020-11-10
Thiol separation (Å)
10
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
P19438
Residue number A
146
Residue number B
149
Peptide name
Tumor necrosis factor receptor superfamily member 1A

Ligandability

Cysteine 146 of Tumor necrosis factor receptor superfamily member 1A

Cysteine 149 of Tumor necrosis factor receptor superfamily member 1A

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