ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Mothers against decapentaplegic homolog 5

Intramolecular
Cysteine 65 and cysteine 122
Cysteine 65 and cysteine 110
Cysteine 110 and cysteine 122
Cysteine 90 and cysteine 110
Cysteine 90 and cysteine 122
A redox-regulated disulphide may form within Mothers against decapentaplegic homolog 5 between cysteines 65 and 122.

Details

Redox score ?
79
PDB code
5x6m
Structure name
crystal structure of smad5-mh1 in complex with a composite dna sequence
Structure deposition date
2017-02-22
Thiol separation (Å)
3
Half-sphere exposure sum ?
70
Minimum pKa ?
7
% buried
42
Peptide accession
P97454
Residue number A
65
Residue number B
122
Peptide name
Mothers against decapentaplegic homolog 5

Ligandability

Cysteine 65 of Mothers against decapentaplegic homolog 5

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 122 of Mothers against decapentaplegic homolog 5

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 Mothers against decapentaplegic homolog 5 between cysteines 65 and 110.

Details

Redox score ?
78
PDB code
6fzs
Structure name
crystal structure of smad5-mh1 bound to the ggcgc site
Structure deposition date
2018-03-15
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
9
% buried
40
Peptide accession
Q99717
Residue number A
65
Residue number B
110
Peptide name
Mothers against decapentaplegic homolog 5

Ligandability

Cysteine 65 of Mothers against decapentaplegic homolog 5

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 110 of Mothers against decapentaplegic homolog 5

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 Mothers against decapentaplegic homolog 5 between cysteines 110 and 122.

Details

Redox score ?
78
PDB code
5x6m
Structure name
crystal structure of smad5-mh1 in complex with a composite dna sequence
Structure deposition date
2017-02-22
Thiol separation (Å)
3
Half-sphere exposure sum ?
65
Minimum pKa ?
10
% buried
51
Peptide accession
P97454
Residue number A
110
Residue number B
122
Peptide name
Mothers against decapentaplegic homolog 5

Ligandability

Cysteine 110 of Mothers against decapentaplegic homolog 5

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 122 of Mothers against decapentaplegic homolog 5

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 Mothers against decapentaplegic homolog 5 between cysteines 90 and 110. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
6tce
Structure name
crystal structure of the ggct site-bound mh1 domain of smad5 containing a gggs insertion in the loop1
Structure deposition date
2019-11-05
Thiol separation (Å)
10
Half-sphere exposure sum ?
63
Minimum pKa ?
7
% buried
70
Peptide accession
Q99717
Residue number A
90
Residue number B
110
Peptide name
Mothers against decapentaplegic homolog 5

Ligandability

Cysteine 90 of Mothers against decapentaplegic homolog 5

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 110 of Mothers against decapentaplegic homolog 5

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 Mothers against decapentaplegic homolog 5 between cysteines 90 and 122. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
5x6m
Structure name
crystal structure of smad5-mh1 in complex with a composite dna sequence
Structure deposition date
2017-02-22
Thiol separation (Å)
9
Half-sphere exposure sum ?
78
Minimum pKa ?
10
% buried
80
Peptide accession
P97454
Residue number A
90
Residue number B
122
Peptide name
Mothers against decapentaplegic homolog 5

Ligandability

Cysteine 90 of Mothers against decapentaplegic homolog 5

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 122 of Mothers against decapentaplegic homolog 5

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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