ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Thioredoxin-interacting protein

Intermolecular
Cysteine 749 of Guanine nucleotide exchange factor VAV2 and cysteine 333
Cysteine 63 and cysteine 63
Cysteine 333 and cysteine 333
Cysteine 247 and cysteine 32 of Thioredoxin L
Cysteine 247 and cysteine 73 of Thioredoxin L
Intramolecular
Cysteine 63 and cysteine 190
Cysteine 63 and cysteine 120 L
A redox-regulated disulphide may form between cysteine 749 of Guanine nucleotide exchange factor VAV2 and cysteine 333 of Thioredoxin-interacting protein.

Details

Redox score ?
87
PDB code
4roj
Structure name
crystal structure of the vav2 sh2 domain in complex with txnip phosphorylated peptide
Structure deposition date
2014-10-28
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Guanine nucleotide exchange factor VAV2
Peptide B name
Thioredoxin-interacting protein
Peptide A accession
P52735
Peptide B accession
Q9H3M7
Peptide A residue number
749
Peptide B residue number
333

Ligandability

Cysteine 749 of Guanine nucleotide exchange factor VAV2

Cysteine 333 of Thioredoxin-interacting protein

A redox-regulated disulphide may form between two units of Thioredoxin-interacting protein at cysteines 63 and 63.

Details

Redox score ?
82
PDB code
4gej
Structure name
n-terminal domain of vdup-1
Structure deposition date
2012-08-02
Thiol separation (Å)
2
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide A name
Thioredoxin-interacting protein
Peptide B name
Thioredoxin-interacting protein
Peptide A accession
Q9H3M7
Peptide B accession
Q9H3M7
Peptide A residue number
63
Peptide B residue number
63

Ligandability

A redox-regulated disulphide may form between two units of Thioredoxin-interacting protein at cysteines 333 and 333.

Details

Redox score ?
80
PDB code
4rof
Structure name
crystal structure of ww3 domain of itch in complex with txnip peptide
Structure deposition date
2014-10-28
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide A name
Thioredoxin-interacting protein
Peptide B name
Thioredoxin-interacting protein
Peptide A accession
Q9H3M7
Peptide B accession
Q9H3M7
Peptide A residue number
333
Peptide B residue number
333

Ligandability

A redox-regulated disulphide may form between cysteine 247 of Thioredoxin-interacting protein and cysteine 32 of Thioredoxin.

Details

Redox score ?
78
PDB code
4ll1
Structure name
the structure of the trx and txnip complex
Structure deposition date
2013-07-09
Thiol separation (Å)
3
Half-sphere exposure sum ?
81
Minimum pKa ?
9
% buried
82
Peptide A name
Thioredoxin-interacting protein
Peptide B name
Thioredoxin
Peptide A accession
Q9H3M7
Peptide B accession
P10599
Peptide A residue number
247
Peptide B residue number
32

Ligandability

Cysteine 247 of Thioredoxin-interacting protein

Cysteine 32 of Thioredoxin

A redox-regulated disulphide may form between cysteine 247 of Thioredoxin-interacting protein and cysteine 73 of Thioredoxin. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
4ll4
Structure name
the structure of the trx and txnip complex
Structure deposition date
2013-07-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
88
Minimum pKa ?
10
% buried
nan
Peptide A name
Thioredoxin-interacting protein
Peptide B name
Thioredoxin
Peptide A accession
Q9H3M7
Peptide B accession
P10599
Peptide A residue number
247
Peptide B residue number
73

Ligandability

Cysteine 247 of Thioredoxin-interacting protein

Cysteine 73 of Thioredoxin

A redox-regulated disulphide may form within Thioredoxin-interacting protein between cysteines 63 and 190.

Details

Redox score ?
85
PDB code
4ll1
Structure name
the structure of the trx and txnip complex
Structure deposition date
2013-07-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9H3M7
Residue number A
63
Residue number B
190
Peptide name
Thioredoxin-interacting protein

Ligandability

Cysteine 63 of Thioredoxin-interacting protein

Cysteine 190 of Thioredoxin-interacting protein

A redox-regulated disulphide may form within Thioredoxin-interacting protein between cysteines 63 and 120.

Details

Redox score ?
83
PDB code
4gfx
Structure name
crystal structure of the n-terminal domain of txnip
Structure deposition date
2012-08-04
Thiol separation (Å)
2
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9H3M7
Residue number A
63
Residue number B
120
Peptide name
Thioredoxin-interacting protein

Ligandability

Cysteine 63 of Thioredoxin-interacting protein

Cysteine 120 of Thioredoxin-interacting protein

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