ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Mothers against decapentaplegic homolog 9

Intramolecular
Cysteine 113 and cysteine 125
Cysteine 68 and cysteine 125
Cysteine 68 and cysteine 113
Cysteine 112 and cysteine 125
Cysteine 68 and cysteine 112
Cysteine 112 and cysteine 113
Cysteine 93 and cysteine 125
Cysteine 93 and cysteine 113
A redox-regulated disulphide may form within Mothers against decapentaplegic homolog 9 between cysteines 113 and 125 (110 and 122 respectively in this structure).

Details

Redox score ?
87
PDB code
6fzt
Structure name
crystal structure of smad8_9-mh1 bound to the ggcgc site
Structure deposition date
2018-03-15
Thiol separation (Å)
4
Half-sphere exposure sum ?
65
Minimum pKa ?
3
% buried
60
Peptide accession
O15198
Residue number A
113
Residue number B
125
Peptide name
Mothers against decapentaplegic homolog 9

Ligandability

Cysteine 113 of Mothers against decapentaplegic homolog 9

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 125 of Mothers against decapentaplegic homolog 9

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 9 between cysteines 68 and 125 (65 and 122 respectively in this structure).

Details

Redox score ?
85
PDB code
6fzt
Structure name
crystal structure of smad8_9-mh1 bound to the ggcgc site
Structure deposition date
2018-03-15
Thiol separation (Å)
4
Half-sphere exposure sum ?
74
Minimum pKa ?
3
% buried
56
Peptide accession
O15198
Residue number A
68
Residue number B
125
Peptide name
Mothers against decapentaplegic homolog 9

Ligandability

Cysteine 68 of Mothers against decapentaplegic homolog 9

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 125 of Mothers against decapentaplegic homolog 9

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 9 between cysteines 68 and 113 (65 and 110 respectively in this structure).

Details

Redox score ?
78
PDB code
6fzt
Structure name
crystal structure of smad8_9-mh1 bound to the ggcgc site
Structure deposition date
2018-03-15
Thiol separation (Å)
4
Half-sphere exposure sum ?
59
Minimum pKa ?
9
% buried
40
Peptide accession
O15198
Residue number A
68
Residue number B
113
Peptide name
Mothers against decapentaplegic homolog 9

Ligandability

Cysteine 68 of Mothers against decapentaplegic homolog 9

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 113 of Mothers against decapentaplegic homolog 9

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 9 between cysteines 112 and 125 (109 and 122 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
6fzt
Structure name
crystal structure of smad8_9-mh1 bound to the ggcgc site
Structure deposition date
2018-03-15
Thiol separation (Å)
9
Half-sphere exposure sum ?
58
Minimum pKa ?
3
% buried
38
Peptide accession
O15198
Residue number A
112
Residue number B
125
Peptide name
Mothers against decapentaplegic homolog 9

Ligandability

Cysteine 112 of Mothers against decapentaplegic homolog 9

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 125 of Mothers against decapentaplegic homolog 9

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 9 between cysteines 68 and 112 (65 and 109 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
6fzt
Structure name
crystal structure of smad8_9-mh1 bound to the ggcgc site
Structure deposition date
2018-03-15
Thiol separation (Å)
8
Half-sphere exposure sum ?
54
Minimum pKa ?
9
% buried
20
Peptide accession
O15198
Residue number A
68
Residue number B
112
Peptide name
Mothers against decapentaplegic homolog 9

Ligandability

Cysteine 68 of Mothers against decapentaplegic homolog 9

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 112 of Mothers against decapentaplegic homolog 9

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 9 between cysteines 112 and 113 (109 and 110 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
6fzt
Structure name
crystal structure of smad8_9-mh1 bound to the ggcgc site
Structure deposition date
2018-03-15
Thiol separation (Å)
8
Half-sphere exposure sum ?
46
Minimum pKa ?
9
% buried
25
Peptide accession
O15198
Residue number A
112
Residue number B
113
Peptide name
Mothers against decapentaplegic homolog 9

Ligandability

Cysteine 112 of Mothers against decapentaplegic homolog 9

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 113 of Mothers against decapentaplegic homolog 9

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 9 between cysteines 93 and 125 (90 and 122 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
6fzt
Structure name
crystal structure of smad8_9-mh1 bound to the ggcgc site
Structure deposition date
2018-03-15
Thiol separation (Å)
9
Half-sphere exposure sum ?
75
Minimum pKa ?
3
% buried
78
Peptide accession
O15198
Residue number A
93
Residue number B
125
Peptide name
Mothers against decapentaplegic homolog 9

Ligandability

Cysteine 93 of Mothers against decapentaplegic homolog 9

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 125 of Mothers against decapentaplegic homolog 9

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 9 between cysteines 93 and 113 (90 and 110 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
6fzt
Structure name
crystal structure of smad8_9-mh1 bound to the ggcgc site
Structure deposition date
2018-03-15
Thiol separation (Å)
10
Half-sphere exposure sum ?
61
Minimum pKa ?
12
% buried
61
Peptide accession
O15198
Residue number A
93
Residue number B
113
Peptide name
Mothers against decapentaplegic homolog 9

Ligandability

Cysteine 93 of Mothers against decapentaplegic homolog 9

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 113 of Mothers against decapentaplegic homolog 9

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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