ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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S-methyl-5'-thioadenosine phosphorylase

Intramolecular
Cysteine 145 and cysteine 211
Cysteine 55 and cysteine 86
A redox-regulated disulphide may form within S-methyl-5'-thioadenosine phosphorylase between cysteines 145 and 211.

Details

Redox score ?
71
PDB code
5tc8
Structure name
crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with methylthio-dadme-immucillin-a
Structure deposition date
2016-09-14
Thiol separation (Å)
4
Half-sphere exposure sum ?
79
Minimum pKa ?
nan
% buried
40
Peptide accession
Q13126
Residue number A
145
Residue number B
211
Peptide name
S-methyl-5'-thioadenosine phosphorylase

Ligandability

Cysteine 145 of S-methyl-5'-thioadenosine phosphorylase

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 211 of S-methyl-5'-thioadenosine phosphorylase

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 S-methyl-5'-thioadenosine phosphorylase between cysteines 55 and 86. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
5tc5
Structure name
crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with butylthio-dadme-immucillin-a and chloride
Structure deposition date
2016-09-14
Thiol separation (Å)
8
Half-sphere exposure sum ?
78
Minimum pKa ?
12
% buried
86
Peptide accession
Q13126
Residue number A
55
Residue number B
86
Peptide name
S-methyl-5'-thioadenosine phosphorylase

Ligandability

Cysteine 55 of S-methyl-5'-thioadenosine phosphorylase

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 86 of S-methyl-5'-thioadenosine phosphorylase

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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