ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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IgG H chain

Intramolecular
Cysteine 41 and cysteine 115
Cysteine 168 and cysteine 224
A redox-regulated disulphide may form within IgG H chain between cysteines 41 and 115 (22 and 96 respectively in this structure).

Details

Redox score ?
80
PDB code
5w1k
Structure name
junv gp1 cr1-10 fab cr1-28 fab complex
Structure deposition date
2017-06-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
S6C4R2
Residue number A
41
Residue number B
115
Peptide name
IgG H chain

Ligandability

Cysteine 41 of IgG H chain

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 115 of IgG H chain

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 IgG H chain between cysteines 168 and 224 (153 and 209 respectively in this structure).

Details

Redox score ?
79
PDB code
5w1k
Structure name
junv gp1 cr1-10 fab cr1-28 fab complex
Structure deposition date
2017-06-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
83
Minimum pKa ?
nan
% buried
nan
Peptide accession
S6C4R2
Residue number A
168
Residue number B
224
Peptide name
IgG H chain

Ligandability

Cysteine 168 of IgG H chain

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 224 of IgG H chain

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.

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