ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Ig-like domain-containing protein

Intermolecular
Cysteine 245 of Ig-like domain-containing protein and cysteine 239
Cysteine 238 of IGH@ protein and cysteine 239
Cysteine 239 and cysteine 103 of Immunoglobulin heavy constant gamma 1
Cysteine 239 and cysteine 222 of Immunoglobulin gamma-1 heavy chain
Cysteine 239 and cysteine 239 of IgG H chain
Intramolecular
Cysteine 43 and cysteine 113
Cysteine 43 and cysteine 159
Cysteine 159 and cysteine 219
Cysteine 43 and cysteine 43
A redox-regulated disulphide may form between two units of Ig-like domain-containing protein at cysteines 245 and 239 (217 and 215 respectively in this structure).

Details

Redox score ?
94
PDB code
5vkk
Structure name
crystal structure of fab fragment of anti-cd22 epratuzumab
Structure deposition date
2017-04-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Ig-like domain-containing protein
Peptide B name
Ig-like domain-containing protein
Peptide A accession
Q6N089
Peptide B accession
Q8TCD0
Peptide A residue number
245
Peptide B residue number
239

Ligandability

Cysteine 245 of Ig-like domain-containing protein

Cysteine 239 of Ig-like domain-containing protein

A redox-regulated disulphide may form between cysteine 238 of IGH@ protein and cysteine 239 of Ig-like domain-containing protein (216 and 214 respectively in this structure).

Details

Redox score ?
92
PDB code
6dc4
Structure name
rsv-neutralizing human antibody am22
Structure deposition date
2018-05-04
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
IGH@ protein
Peptide B name
Ig-like domain-containing protein
Peptide A accession
Q6GMX6
Peptide B accession
Q8TCD0
Peptide A residue number
238
Peptide B residue number
239

Ligandability

Cysteine 238 of IGH@ protein

Cysteine 239 of Ig-like domain-containing protein

A redox-regulated disulphide may form between cysteine 239 of Ig-like domain-containing protein and cysteine 103 of Immunoglobulin heavy constant gamma 1 (214 and 230 respectively in this structure).

Details

Redox score ?
92
PDB code
4nwt
Structure name
crystal structure of the anti-human ngf fab ape1531
Structure deposition date
2013-12-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Ig-like domain-containing protein
Peptide B name
Immunoglobulin heavy constant gamma 1
Peptide A accession
Q8TCD0
Peptide B accession
P01857
Peptide A residue number
239
Peptide B residue number
103

Ligandability

Cysteine 239 of Ig-like domain-containing protein

Cysteine 103 of Immunoglobulin heavy constant gamma 1

A redox-regulated disulphide may form between cysteine 239 of Ig-like domain-containing protein and cysteine 222 of Immunoglobulin gamma-1 heavy chain (214 and 226 respectively in this structure).

Details

Redox score ?
89
PDB code
6bft
Structure name
structure of bevacizumab fab mutant in complex with vegf
Structure deposition date
2017-10-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
nan
Minimum pKa ?
8
% buried
3
Peptide A name
Ig-like domain-containing protein
Peptide B name
Immunoglobulin gamma-1 heavy chain
Peptide A accession
Q8TCD0
Peptide B accession
P0DOX5
Peptide A residue number
239
Peptide B residue number
222

Ligandability

Cysteine 239 of Ig-like domain-containing protein

Cysteine 222 of Immunoglobulin gamma-1 heavy chain

A redox-regulated disulphide may form between cysteine 239 of Ig-like domain-containing protein and cysteine 239 of IgG H chain (214 and 222 respectively in this structure).

Details

Redox score ?
82
PDB code
5vqm
Structure name
clostridium difficile tcdb-gtd bound to pa41 fab
Structure deposition date
2017-05-09
Thiol separation (Å)
5
Half-sphere exposure sum ?
nan
Minimum pKa ?
9
% buried
0
Peptide A name
Ig-like domain-containing protein
Peptide B name
IgG H chain
Peptide A accession
Q8TCD0
Peptide B accession
S6B291
Peptide A residue number
239
Peptide B residue number
239

Ligandability

Cysteine 239 of Ig-like domain-containing protein

Cysteine 239 of IgG H chain

A redox-regulated disulphide may form within Ig-like domain-containing protein between cysteines 43 and 113 (23 and 93 respectively in this structure).

Details

Redox score ?
81
PDB code
5vod
Structure name
crystal structure of hcmv pentamer in complex with neutralizing antibody 9i6
Structure deposition date
2017-05-02
Thiol separation (Å)
2
Half-sphere exposure sum ?
83
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8TCD0
Residue number A
43
Residue number B
113
Peptide name
Ig-like domain-containing protein

Ligandability

Cysteine 43 of Ig-like domain-containing protein

Cysteine 113 of Ig-like domain-containing protein

A redox-regulated disulphide may form within Ig-like domain-containing protein between cysteines 43 and 159 (23 and 88 respectively in this structure).

Details

Redox score ?
78
PDB code
3cfj
Structure name
crystal structure of catalytic elimination antibody 34e4, orthorhombic crystal form
Structure deposition date
2008-03-04
Thiol separation (Å)
2
Half-sphere exposure sum ?
94
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8TCD0
Residue number A
43
Residue number B
159
Peptide name
Ig-like domain-containing protein

Ligandability

Cysteine 43 of Ig-like domain-containing protein

Cysteine 159 of Ig-like domain-containing protein

A redox-regulated disulphide may form within Ig-like domain-containing protein between cysteines 159 and 219 (134 and 194 respectively in this structure).

Details

Redox score ?
78
PDB code
6apd
Structure name
crystal structure of rsv f bound by am22 and the infant antibody adi- 19425
Structure deposition date
2017-08-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
83
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8TCD0
Residue number A
159
Residue number B
219
Peptide name
Ig-like domain-containing protein

Ligandability

Cysteine 159 of Ig-like domain-containing protein

Cysteine 219 of Ig-like domain-containing protein

A redox-regulated disulphide may form within Ig-like domain-containing protein between cysteines 43 and 43 (23 and 88 respectively in this structure).

Details

Redox score ?
73
PDB code
6bft
Structure name
structure of bevacizumab fab mutant in complex with vegf
Structure deposition date
2017-10-27
Thiol separation (Å)
3
Half-sphere exposure sum ?
88
Minimum pKa ?
9
% buried
89
Peptide accession
Q8TCD0
Residue number A
43
Residue number B
43
Peptide name
Ig-like domain-containing protein

Ligandability

Cysteine 43 of Ig-like domain-containing protein

Cysteine 43 of Ig-like domain-containing protein

Uncertain whether structure cysteine 88 has been assigned to correct residue.
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