ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Tumor necrosis factor

Intramolecular
Cysteine 148 and cysteine 179
Cysteine 1 and cysteine 17
A redox-regulated disulphide may form within Tumor necrosis factor between cysteines 148 and 179 (69 and 101 respectively in this structure).

Details

Redox score ?
84
PDB code
2tnf
Structure name
1
Structure deposition date
1998-10-12
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P06804
Residue number A
148
Residue number B
179
Peptide name
Tumor necrosis factor

Ligandability

Cysteine 148 of Tumor necrosis factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 179 of Tumor necrosis factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Tumor necrosis factor between cysteines 1 and 17.

Details

Redox score ?
nan
PDB code
7qlf
Structure name
conformational ensemble of solnatide in solution
Structure deposition date
2021-12-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
P01375
Residue number A
1
Residue number B
17
Peptide name
Tumor necrosis factor

Ligandability

Cysteine 1 of Tumor necrosis factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 17 of Tumor necrosis factor

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 1 in protein A could not be asigned to a Uniprot residue.
Cysteine 17 in protein B could not be asigned to a Uniprot residue.
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