ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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MAb 44B1 light chain

Intramolecular
Cysteine 43 and cysteine 112
Cysteine 158 and cysteine 218
A redox-regulated disulphide may form within MAb 44B1 light chain between cysteines 43 and 112 (23 and 88 respectively in this structure).

Details

Redox score ?
80
PDB code
6p4b
Structure name
hyhel10 fab variant hyhel10-4x (heavy chain mutations l4f, y33h, s56n, and y58f) bound to hen egg lysozyme variant hel2x-flex (mutations r21q, r73e, c76s, and c94s)
Structure deposition date
2019-05-27
Thiol separation (Å)
2
Half-sphere exposure sum ?
88
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0E4B213
Residue number A
43
Residue number B
112
Peptide name
MAb 44B1 light chain

Ligandability

Cysteine 43 of MAb 44B1 light 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 112 of MAb 44B1 light 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 light chain between cysteines 158 and 218 (134 and 194 respectively in this structure).

Details

Redox score ?
77
PDB code
6p4b
Structure name
hyhel10 fab variant hyhel10-4x (heavy chain mutations l4f, y33h, s56n, and y58f) bound to hen egg lysozyme variant hel2x-flex (mutations r21q, r73e, c76s, and c94s)
Structure deposition date
2019-05-27
Thiol separation (Å)
2
Half-sphere exposure sum ?
89
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0E4B213
Residue number A
158
Residue number B
218
Peptide name
MAb 44B1 light chain

Ligandability

Cysteine 158 of MAb 44B1 light 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 218 of MAb 44B1 light 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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