ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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MAb 110 light chain

Intermolecular
Cysteine 148 of MAb 106 heavy chain and cysteine 239
Intramolecular
Cysteine 43 and cysteine 113
Cysteine 159 and cysteine 219
A redox-regulated disulphide may form between cysteine 148 of MAb 106 heavy chain and cysteine 239 of MAb 110 light chain (153 and 234 respectively in this structure).

Details

Redox score ?
88
PDB code
6awq
Structure name
anomalous chloride signal reveals the position of sertraline complexed with the serotonin transporter at the central site
Structure deposition date
2017-09-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
MAb 106 heavy chain
Peptide B name
MAb 110 light chain
Peptide A accession
A0A0F7R1P3
Peptide B accession
A0A0F7R5U8
Peptide A residue number
148
Peptide B residue number
239

Ligandability

Cysteine 148 of MAb 106 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 239 of MAb 110 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 110 light chain between cysteines 43 and 113 (43 and 108 respectively in this structure).

Details

Redox score ?
80
PDB code
6awq
Structure name
anomalous chloride signal reveals the position of sertraline complexed with the serotonin transporter at the central site
Structure deposition date
2017-09-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
87
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0F7R5U8
Residue number A
43
Residue number B
113
Peptide name
MAb 110 light chain

Ligandability

Cysteine 43 of MAb 110 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 113 of MAb 110 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 110 light chain between cysteines 159 and 219 (154 and 214 respectively in this structure).

Details

Redox score ?
79
PDB code
6awq
Structure name
anomalous chloride signal reveals the position of sertraline complexed with the serotonin transporter at the central site
Structure deposition date
2017-09-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
86
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0F7R5U8
Residue number A
159
Residue number B
219
Peptide name
MAb 110 light chain

Ligandability

Cysteine 159 of MAb 110 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 219 of MAb 110 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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