ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

IgG heavy chain VDJ region

Intermolecular
Cysteine 103 of Ig kappa-b4 chain C region and cysteine 133
Cysteine 103 of Ig kappa-b4 chain C region and cysteine 134
Intramolecular
Cysteine 146 and cysteine 199
Cysteine 21 and cysteine 92
Cysteine 133 and cysteine 134
Cysteine 54 and cysteine 92
Cysteine 54 and cysteine 69
A redox-regulated disulphide may form between cysteine 103 of Ig kappa-b4 chain C region and cysteine 133 of IgG heavy chain VDJ region (237 and 150 respectively in this structure).

Details

Redox score ?
88
PDB code
6did
Structure name
hiv env bg505 sosip with polyclonal fabs from immunized rabbit #3417 post-boost#1
Structure deposition date
2018-05-23
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Ig kappa-b4 chain C region
Peptide B name
IgG heavy chain VDJ region
Peptide A accession
P01840
Peptide B accession
A0A1Y1B8B1
Peptide A residue number
103
Peptide B residue number
133

Ligandability

Cysteine 103 of Ig kappa-b4 chain C region

Cysteine 133 of IgG heavy chain VDJ region

A redox-regulated disulphide may form between cysteine 103 of Ig kappa-b4 chain C region and cysteine 134 of IgG heavy chain VDJ region (237 and 151 respectively in this structure).

Details

Redox score ?
61
PDB code
6did
Structure name
hiv env bg505 sosip with polyclonal fabs from immunized rabbit #3417 post-boost#1
Structure deposition date
2018-05-23
Thiol separation (Å)
7
Half-sphere exposure sum ?
nan
Minimum pKa ?
10
% buried
nan
Peptide A name
Ig kappa-b4 chain C region
Peptide B name
IgG heavy chain VDJ region
Peptide A accession
P01840
Peptide B accession
A0A1Y1B8B1
Peptide A residue number
103
Peptide B residue number
134

Ligandability

Cysteine 103 of Ig kappa-b4 chain C region

Cysteine 134 of IgG heavy chain VDJ region

A redox-regulated disulphide may form within IgG heavy chain VDJ region between cysteines 146 and 199 (163 and 216 respectively in this structure).

Details

Redox score ?
80
PDB code
6did
Structure name
hiv env bg505 sosip with polyclonal fabs from immunized rabbit #3417 post-boost#1
Structure deposition date
2018-05-23
Thiol separation (Å)
2
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A1Y1B8B1
Residue number A
146
Residue number B
199
Peptide name
IgG heavy chain VDJ region

Ligandability

Cysteine 146 of IgG heavy chain VDJ region

Cysteine 199 of IgG heavy chain VDJ region

A redox-regulated disulphide may form within IgG heavy chain VDJ region between cysteines 21 and 92 (40 and 114 respectively in this structure).

Details

Redox score ?
80
PDB code
6did
Structure name
hiv env bg505 sosip with polyclonal fabs from immunized rabbit #3417 post-boost#1
Structure deposition date
2018-05-23
Thiol separation (Å)
2
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A1Y1B8B1
Residue number A
21
Residue number B
92
Peptide name
IgG heavy chain VDJ region

Ligandability

Cysteine 21 of IgG heavy chain VDJ region

Cysteine 92 of IgG heavy chain VDJ region

A redox-regulated disulphide may form within IgG heavy chain VDJ region between cysteines 133 and 134 (150 and 151 respectively in this structure).

Details

Redox score ?
61
PDB code
6did
Structure name
hiv env bg505 sosip with polyclonal fabs from immunized rabbit #3417 post-boost#1
Structure deposition date
2018-05-23
Thiol separation (Å)
6
Half-sphere exposure sum ?
57
Minimum pKa ?
10
% buried
nan
Peptide accession
A0A1Y1B8B1
Residue number A
133
Residue number B
134
Peptide name
IgG heavy chain VDJ region

Ligandability

Cysteine 133 of IgG heavy chain VDJ region

Cysteine 134 of IgG heavy chain VDJ region

A redox-regulated disulphide may form within IgG heavy chain VDJ region between cysteines 54 and 92 (54 and 114 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
6did
Structure name
hiv env bg505 sosip with polyclonal fabs from immunized rabbit #3417 post-boost#1
Structure deposition date
2018-05-23
Thiol separation (Å)
10
Half-sphere exposure sum ?
93
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A1Y1B8B1
Residue number A
54
Residue number B
92
Peptide name
IgG heavy chain VDJ region

Ligandability

Cysteine 54 of IgG heavy chain VDJ region

Cysteine 92 of IgG heavy chain VDJ region

Cysteine 54 in protein A could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within IgG heavy chain VDJ region between cysteines 54 and 69.

Details

Redox score ?
nan
PDB code
6did
Structure name
hiv env bg505 sosip with polyclonal fabs from immunized rabbit #3417 post-boost#1
Structure deposition date
2018-05-23
Thiol separation (Å)
2
Half-sphere exposure sum ?
93
Minimum pKa ?
nan
% buried
nan
Peptide accession
A0A1Y1B8B1
Residue number A
54
Residue number B
69
Peptide name
IgG heavy chain VDJ region

Ligandability

Cysteine 54 of IgG heavy chain VDJ region

Cysteine 69 of IgG heavy chain VDJ region

Cysteine 54 in protein A could not be asigned to a Uniprot residue.
Cysteine 69 in protein B could not be asigned to a Uniprot residue.
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