ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Interleukin-1 receptor-associated kinase 3

Intermolecular
Cysteine 287 and cysteine 202
Intramolecular
Cysteine 5 and cysteine 35
Cysteine 399 and cysteine 420
Cysteine 5 and cysteine 29
Cysteine 420 and cysteine 425
A redox-regulated disulphide may form between two units of Interleukin-1 receptor-associated kinase 3 at cysteines 287 and 202.

Details

Redox score ?
87
PDB code
6ruu
Structure name
pseudokinase domain of human irak3
Structure deposition date
2019-05-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
49
Minimum pKa ?
nan
% buried
nan
Peptide A name
Interleukin-1 receptor-associated kinase 3
Peptide B name
Interleukin-1 receptor-associated kinase 3
Peptide A accession
Q9Y616
Peptide B accession
Q9Y616
Peptide A residue number
287
Peptide B residue number
202

Ligandability

Cysteine 287 of Interleukin-1 receptor-associated kinase 3

Cysteine 202 of Interleukin-1 receptor-associated kinase 3

A redox-regulated disulphide may form within Interleukin-1 receptor-associated kinase 3 between cysteines 5 and 35 (10 and 40 respectively in this structure).

Details

Redox score ?
61
PDB code
5uke
Structure name
nmr structure of monomeric human irak-m death domain r56d, y61e mutant
Structure deposition date
2017-01-20
Thiol separation (Å)
7
Half-sphere exposure sum ?
42
Minimum pKa ?
8
% buried
17
Peptide accession
Q9Y616
Residue number A
5
Residue number B
35
Peptide name
Interleukin-1 receptor-associated kinase 3

Ligandability

Cysteine 5 of Interleukin-1 receptor-associated kinase 3

Cysteine 35 of Interleukin-1 receptor-associated kinase 3

A redox-regulated disulphide may form within Interleukin-1 receptor-associated kinase 3 between cysteines 399 and 420. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
6ruu
Structure name
pseudokinase domain of human irak3
Structure deposition date
2019-05-29
Thiol separation (Å)
9
Half-sphere exposure sum ?
66
Minimum pKa ?
9
% buried
24
Peptide accession
Q9Y616
Residue number A
399
Residue number B
420
Peptide name
Interleukin-1 receptor-associated kinase 3

Ligandability

Cysteine 399 of Interleukin-1 receptor-associated kinase 3

Cysteine 420 of Interleukin-1 receptor-associated kinase 3

A redox-regulated disulphide may form within Interleukin-1 receptor-associated kinase 3 between cysteines 5 and 29 (10 and 34 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
5uke
Structure name
nmr structure of monomeric human irak-m death domain r56d, y61e mutant
Structure deposition date
2017-01-20
Thiol separation (Å)
9
Half-sphere exposure sum ?
58
Minimum pKa ?
9
% buried
37
Peptide accession
Q9Y616
Residue number A
5
Residue number B
29
Peptide name
Interleukin-1 receptor-associated kinase 3

Ligandability

Cysteine 5 of Interleukin-1 receptor-associated kinase 3

Cysteine 29 of Interleukin-1 receptor-associated kinase 3

A redox-regulated disulphide may form within Interleukin-1 receptor-associated kinase 3 between cysteines 420 and 425. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
6ruu
Structure name
pseudokinase domain of human irak3
Structure deposition date
2019-05-29
Thiol separation (Å)
10
Half-sphere exposure sum ?
73
Minimum pKa ?
8
% buried
65
Peptide accession
Q9Y616
Residue number A
420
Residue number B
425
Peptide name
Interleukin-1 receptor-associated kinase 3

Ligandability

Cysteine 420 of Interleukin-1 receptor-associated kinase 3

Cysteine 425 of Interleukin-1 receptor-associated kinase 3

If this tool was useful for finding a disulphide, please cite: