ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Survival motor neuron protein

Intermolecular
Cysteine 107 and cysteine 146
Intramolecular
Cysteine 98 and cysteine 123
Cysteine 98 and cysteine 146
A redox-regulated disulphide may form between two units of Survival motor neuron protein at cysteines 107 and 146.

Details

Redox score ?
85
PDB code
7w30
Structure name
tudor domain of smn in complex with a small molecule
Structure deposition date
2021-11-24
Thiol separation (Å)
2
Half-sphere exposure sum ?
48
Minimum pKa ?
nan
% buried
nan
Peptide A name
Survival motor neuron protein
Peptide B name
Survival motor neuron protein
Peptide A accession
Q16637
Peptide B accession
Q16637
Peptide A residue number
107
Peptide B residue number
146

Ligandability

Cysteine 107 of Survival motor neuron protein

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 146 of Survival motor neuron protein

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 Survival motor neuron protein between cysteines 98 and 123. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
57
PDB code
7w2p
Structure name
tudor domain of smn in complex with a small molecule
Structure deposition date
2021-11-24
Thiol separation (Å)
6
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q16637
Residue number A
98
Residue number B
123
Peptide name
Survival motor neuron protein

Ligandability

Cysteine 98 of Survival motor neuron protein

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 123 of Survival motor neuron protein

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 Survival motor neuron protein between cysteines 98 and 146. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
1mhn
Structure name
high resolution crystal structure of the smn tudor domain
Structure deposition date
2002-08-20
Thiol separation (Å)
10
Half-sphere exposure sum ?
51
Minimum pKa ?
9
% buried
22
Peptide accession
Q16637
Residue number A
98
Residue number B
146
Peptide name
Survival motor neuron protein

Ligandability

Cysteine 98 of Survival motor neuron protein

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 146 of Survival motor neuron protein

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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