ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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IgG H chain

Intramolecular
Cysteine 166 and cysteine 222
Cysteine 41 and cysteine 115
A redox-regulated disulphide may form within IgG H chain between cysteines 166 and 222 (140 and 196 respectively in this structure).

Details

Redox score ?
79
PDB code
5esv
Structure name
crystal structure of broadly neutralizing antibody ch03, isolated from donor ch0219, in complex with scaffolded trimeric hiv-1 env v1v2 domain from the clade c superinfecting strain of donor cap256
Structure deposition date
2015-11-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
86
Minimum pKa ?
nan
% buried
nan
Peptide accession
S6BGE0
Residue number A
166
Residue number B
222
Peptide name
IgG H chain

Ligandability

Cysteine 166 of IgG H 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 222 of IgG H 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 IgG H chain between cysteines 41 and 115 (22 and 92 respectively in this structure).

Details

Redox score ?
78
PDB code
5esv
Structure name
crystal structure of broadly neutralizing antibody ch03, isolated from donor ch0219, in complex with scaffolded trimeric hiv-1 env v1v2 domain from the clade c superinfecting strain of donor cap256
Structure deposition date
2015-11-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
89
Minimum pKa ?
nan
% buried
nan
Peptide accession
S6BGE0
Residue number A
41
Residue number B
115
Peptide name
IgG H chain

Ligandability

Cysteine 41 of IgG H 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 IgG H 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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