ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Ig-like domain-containing protein

Intermolecular
Cysteine 248 and cysteine 236 of IGK@ protein
Intramolecular
Cysteine 172 and cysteine 228
Cysteine 41 and cysteine 115
Cysteine 32 and cysteine 248
A redox-regulated disulphide may form between cysteine 248 of Ig-like domain-containing protein and cysteine 236 of IGK@ protein (216 and 216 respectively in this structure).

Details

Redox score ?
94
PDB code
6v8x
Structure name
vrc01 bound bg505 f14 hiv-1 sosip envelope trimer structure
Structure deposition date
2019-12-12
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
IGK@ protein
Peptide A accession
Q6N095
Peptide B accession
Q6PIL8
Peptide A residue number
248
Peptide B residue number
236

Ligandability

Cysteine 248 of Ig-like domain-containing protein

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 236 of IGK@ protein

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 Ig-like domain-containing protein between cysteines 172 and 228 (3155 and 3211 respectively in this structure).

Details

Redox score ?
80
PDB code
2nxy
Structure name
hiv-1 gp120 envelope glycoprotein(s334a) complexed with cd4 and antibody 17b
Structure deposition date
2006-11-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
83
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q6N095
Residue number A
172
Residue number B
228
Peptide name
Ig-like domain-containing protein

Ligandability

Cysteine 172 of Ig-like domain-containing protein

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 228 of Ig-like domain-containing protein

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 Ig-like domain-containing protein between cysteines 41 and 115 (3022 and 3096 respectively in this structure).

Details

Redox score ?
79
PDB code
2nxy
Structure name
hiv-1 gp120 envelope glycoprotein(s334a) complexed with cd4 and antibody 17b
Structure deposition date
2006-11-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
86
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q6N095
Residue number A
41
Residue number B
115
Peptide name
Ig-like domain-containing protein

Ligandability

Cysteine 41 of Ig-like domain-containing protein

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 Ig-like domain-containing protein

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 Ig-like domain-containing protein between cysteines 32 and 248 (32 and 98 respectively in this structure).

Details

Redox score ?
nan
PDB code
6v8x
Structure name
vrc01 bound bg505 f14 hiv-1 sosip envelope trimer structure
Structure deposition date
2019-12-12
Thiol separation (Å)
2
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q6N095
Residue number A
32
Residue number B
248
Peptide name
Ig-like domain-containing protein

Ligandability

Cysteine 32 of Ig-like domain-containing protein

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 248 of Ig-like domain-containing protein

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 32 in protein A could not be asigned to a Uniprot residue.
Uncertain whether structure cysteine 98 has been assigned to correct residue.
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