ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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MAb 44B1 heavy chain

Intramolecular
Cysteine 41 and cysteine 115
Cysteine 164 and cysteine 219
A redox-regulated disulphide may form within MAb 44B1 heavy chain between cysteines 41 and 115 (22 and 92 respectively in this structure).

Details

Redox score ?
80
PDB code
5tr8
Structure name
crystal structure of vaccine-elicited pan- influenza h1n1 neutralizing murine antibody 441d6
Structure deposition date
2016-10-25
Thiol separation (Å)
2
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0E4B366
Residue number A
41
Residue number B
115
Peptide name
MAb 44B1 heavy chain

Ligandability

Cysteine 41 of MAb 44B1 heavy 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 MAb 44B1 heavy 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 MAb 44B1 heavy chain between cysteines 164 and 219 (140 and 195 respectively in this structure).

Details

Redox score ?
77
PDB code
5tr8
Structure name
crystal structure of vaccine-elicited pan- influenza h1n1 neutralizing murine antibody 441d6
Structure deposition date
2016-10-25
Thiol separation (Å)
2
Half-sphere exposure sum ?
87
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0E4B366
Residue number A
164
Residue number B
219
Peptide name
MAb 44B1 heavy chain

Ligandability

Cysteine 164 of MAb 44B1 heavy 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 219 of MAb 44B1 heavy 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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