ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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MAb 106 heavy chain

Intermolecular
Cysteine 148 and cysteine 239 of MAb 110 light chain
Intramolecular
Cysteine 41 and cysteine 115
Cysteine 160 and cysteine 215
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 106 heavy chain between cysteines 41 and 115 (22 and 92 respectively in this structure).

Details

Redox score ?
80
PDB code
4nja
Structure name
crystal structure of fab 6c8 in complex with mpts
Structure deposition date
2013-11-08
Thiol separation (Å)
2
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0F7R1P3
Residue number A
41
Residue number B
115
Peptide name
MAb 106 heavy chain

Ligandability

Cysteine 41 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 115 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.

A redox-regulated disulphide may form within MAb 106 heavy chain between cysteines 160 and 215 (165 and 220 respectively in this structure).

Details

Redox score ?
80
PDB code
6awo
Structure name
x-ray structure of the ts3 human serotonin transporter complexed with sertraline at the central site
Structure deposition date
2017-09-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
85
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A0F7R1P3
Residue number A
160
Residue number B
215
Peptide name
MAb 106 heavy chain

Ligandability

Cysteine 160 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 215 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.

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