ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Sepiapterin reductase

Intramolecular
Cysteine 159 and cysteine 171 L
Cysteine 8 and cysteine 11 L
A redox-regulated disulphide may form within Sepiapterin reductase between cysteines 159 and 171 (156 and 168 respectively in this structure).

Details

Redox score ?
64
PDB code
6usn
Structure name
co-crystal structure of spr with compound 5
Structure deposition date
2019-10-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
76
Minimum pKa ?
8
% buried
100
Peptide accession
P35270
Residue number A
159
Residue number B
171
Peptide name
Sepiapterin reductase

Ligandability

Cysteine 159 of Sepiapterin reductase

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 171 of Sepiapterin reductase

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Sepiapterin reductase between cysteines 8 and 11. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
1nas
Structure name
sepiapterin reductase complexed with n-acetyl serotonin
Structure deposition date
1998-03-26
Thiol separation (Å)
10
Half-sphere exposure sum ?
77
Minimum pKa ?
10
% buried
54
Peptide accession
Q64105
Residue number A
8
Residue number B
11
Peptide name
Sepiapterin reductase

Ligandability

Cysteine 8 of Sepiapterin reductase

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 11 of Sepiapterin reductase

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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