ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Indoleamine 2,3-dioxygenase 1

Intermolecular
Cysteine 308 and cysteine 308
Intramolecular
Cysteine 85 and cysteine 129
Cysteine 206 and cysteine 335
A redox-regulated disulphide may form between two units of Indoleamine 2,3-dioxygenase 1 at cysteines 308 and 308.

Details

Redox score ?
67
PDB code
6kw7
Structure name
crystal structure of indoleamine 2,3-dioxygenagse 1 (ido1) in complex with compound 12
Structure deposition date
2019-09-06
Thiol separation (Å)
5
Half-sphere exposure sum ?
66
Minimum pKa ?
7
% buried
94
Peptide A name
Indoleamine 2,3-dioxygenase 1
Peptide B name
Indoleamine 2,3-dioxygenase 1
Peptide A accession
P14902
Peptide B accession
P14902
Peptide A residue number
308
Peptide B residue number
308

Ligandability

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 Indoleamine 2,3-dioxygenase 1 between cysteines 85 and 129. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
6azv
Structure name
ido1/bms-978587 crystal structure
Structure deposition date
2017-09-13
Thiol separation (Å)
6
Half-sphere exposure sum ?
89
Minimum pKa ?
13
% buried
100
Peptide accession
P14902
Residue number A
85
Residue number B
129
Peptide name
Indoleamine 2,3-dioxygenase 1

Ligandability

Cysteine 85 of Indoleamine 2,3-dioxygenase 1

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 129 of Indoleamine 2,3-dioxygenase 1

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 Indoleamine 2,3-dioxygenase 1 between cysteines 206 and 335. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
6e40
Structure name
crystal structure of the indoleamine 2,3-dioxygenase 1 (ido1) in complexed with ferric heme and epacadostat
Structure deposition date
2018-07-16
Thiol separation (Å)
10
Half-sphere exposure sum ?
73
Minimum pKa ?
11
% buried
69
Peptide accession
P14902
Residue number A
206
Residue number B
335
Peptide name
Indoleamine 2,3-dioxygenase 1

Ligandability

Cysteine 206 of Indoleamine 2,3-dioxygenase 1

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 335 of Indoleamine 2,3-dioxygenase 1

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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