ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Mothers against decapentaplegic homolog 4

Intermolecular
Cysteine 463 of Mothers against decapentaplegic homolog 2 and cysteine 523
Cysteine 421 of Mothers against decapentaplegic homolog 3 and cysteine 523
Cysteine 25 and cysteine 16
Cysteine 71 and cysteine 71
Cysteine 401 and cysteine 327 of Ski-like protein
Intramolecular
Cysteine 115 and cysteine 127
Cysteine 71 and cysteine 127
Cysteine 71 and cysteine 115
Cysteine 443 and cysteine 499
Cysteine 115 and cysteine 123
More...
Cysteine 71 and cysteine 123
Cysteine 324 and cysteine 391
Cysteine 123 and cysteine 127
Cysteine 324 and cysteine 345
A redox-regulated disulphide may form between cysteine 463 of Mothers against decapentaplegic homolog 2 and cysteine 523 of Mothers against decapentaplegic homolog 4. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
1u7v
Structure name
crystal structure of the phosphorylated smad2/smad4 heterotrimeric complex
Structure deposition date
2004-08-04
Thiol separation (Å)
8
Half-sphere exposure sum ?
70
Minimum pKa ?
10
% buried
74
Peptide A name
Mothers against decapentaplegic homolog 2
Peptide B name
Mothers against decapentaplegic homolog 4
Peptide A accession
Q15796
Peptide B accession
Q13485
Peptide A residue number
463
Peptide B residue number
523

Ligandability

Cysteine 463 of Mothers against decapentaplegic homolog 2

Cysteine 523 of Mothers against decapentaplegic homolog 4

A redox-regulated disulphide may form between cysteine 421 of Mothers against decapentaplegic homolog 3 and cysteine 523 of Mothers against decapentaplegic homolog 4. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
1u7f
Structure name
crystal structure of the phosphorylated smad3/smad4 heterotrimeric complex
Structure deposition date
2004-08-03
Thiol separation (Å)
9
Half-sphere exposure sum ?
67
Minimum pKa ?
9
% buried
70
Peptide A name
Mothers against decapentaplegic homolog 3
Peptide B name
Mothers against decapentaplegic homolog 4
Peptide A accession
P84022
Peptide B accession
Q13485
Peptide A residue number
421
Peptide B residue number
523

Ligandability

Cysteine 421 of Mothers against decapentaplegic homolog 3

Cysteine 523 of Mothers against decapentaplegic homolog 4

A redox-regulated disulphide may form between two units of Mothers against decapentaplegic homolog 4 at cysteines 25 and 16. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
3qsv
Structure name
structural basis for dna recognition by constitutive smad4 mh1 dimers
Structure deposition date
2011-02-22
Thiol separation (Å)
9
Half-sphere exposure sum ?
61
Minimum pKa ?
9
% buried
28
Peptide A name
Mothers against decapentaplegic homolog 4
Peptide B name
Mothers against decapentaplegic homolog 4
Peptide A accession
P97471
Peptide B accession
P97471
Peptide A residue number
25
Peptide B residue number
16

Ligandability

Cysteine 25 of Mothers against decapentaplegic homolog 4

Cysteine 16 of Mothers against decapentaplegic homolog 4

A redox-regulated disulphide may form between two units of Mothers against decapentaplegic homolog 4 at cysteines 71 and 71. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
5mez
Structure name
crystal structure of smad4-mh1 bound to the ggct site
Structure deposition date
2016-11-16
Thiol separation (Å)
9
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide A name
Mothers against decapentaplegic homolog 4
Peptide B name
Mothers against decapentaplegic homolog 4
Peptide A accession
Q13485
Peptide B accession
Q13485
Peptide A residue number
71
Peptide B residue number
71

Ligandability

A redox-regulated disulphide may form between cysteine 401 of Mothers against decapentaplegic homolog 4 and cysteine 327 of Ski-like protein. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
5c4v
Structure name
ski-like protein
Structure deposition date
2015-06-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
73
Minimum pKa ?
9
% buried
69
Peptide A name
Mothers against decapentaplegic homolog 4
Peptide B name
Ski-like protein
Peptide A accession
Q13485
Peptide B accession
P12757
Peptide A residue number
401
Peptide B residue number
327

Ligandability

Cysteine 401 of Mothers against decapentaplegic homolog 4

Cysteine 327 of Ski-like protein

A redox-regulated disulphide may form within Mothers against decapentaplegic homolog 4 between cysteines 115 and 127.

Details

Redox score ?
78
PDB code
5mf0
Structure name
crystal structure of smad4-mh1 bound to the ggccg site
Structure deposition date
2016-11-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
68
Minimum pKa ?
8
% buried
64
Peptide accession
Q13485
Residue number A
115
Residue number B
127
Peptide name
Mothers against decapentaplegic homolog 4

Ligandability

Cysteine 115 of Mothers against decapentaplegic homolog 4

Cysteine 127 of Mothers against decapentaplegic homolog 4

A redox-regulated disulphide may form within Mothers against decapentaplegic homolog 4 between cysteines 71 and 127.

Details

Redox score ?
76
PDB code
5mez
Structure name
crystal structure of smad4-mh1 bound to the ggct site
Structure deposition date
2016-11-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
82
Minimum pKa ?
7
% buried
nan
Peptide accession
Q13485
Residue number A
71
Residue number B
127
Peptide name
Mothers against decapentaplegic homolog 4

Ligandability

Cysteine 71 of Mothers against decapentaplegic homolog 4

Cysteine 127 of Mothers against decapentaplegic homolog 4

A redox-regulated disulphide may form within Mothers against decapentaplegic homolog 4 between cysteines 71 and 115.

Details

Redox score ?
75
PDB code
3qsv
Structure name
structural basis for dna recognition by constitutive smad4 mh1 dimers
Structure deposition date
2011-02-22
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
11
% buried
nan
Peptide accession
P97471
Residue number A
71
Residue number B
115
Peptide name
Mothers against decapentaplegic homolog 4

Ligandability

Cysteine 71 of Mothers against decapentaplegic homolog 4

Cysteine 115 of Mothers against decapentaplegic homolog 4

A redox-regulated disulphide may form within Mothers against decapentaplegic homolog 4 between cysteines 443 and 499.

Details

Redox score ?
68
PDB code
1g88
Structure name
s4afl3arg515 mutant
Structure deposition date
2000-11-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
83
Minimum pKa ?
9
% buried
100
Peptide accession
Q13485
Residue number A
443
Residue number B
499
Peptide name
Mothers against decapentaplegic homolog 4

Ligandability

Cysteine 443 of Mothers against decapentaplegic homolog 4

Cysteine 499 of Mothers against decapentaplegic homolog 4

A redox-regulated disulphide may form within Mothers against decapentaplegic homolog 4 between cysteines 115 and 123. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
3qsv
Structure name
structural basis for dna recognition by constitutive smad4 mh1 dimers
Structure deposition date
2011-02-22
Thiol separation (Å)
9
Half-sphere exposure sum ?
47
Minimum pKa ?
10
% buried
25
Peptide accession
P97471
Residue number A
115
Residue number B
123
Peptide name
Mothers against decapentaplegic homolog 4

Ligandability

Cysteine 115 of Mothers against decapentaplegic homolog 4

Cysteine 123 of Mothers against decapentaplegic homolog 4

A redox-regulated disulphide may form within Mothers against decapentaplegic homolog 4 between cysteines 71 and 123. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
5mf0
Structure name
crystal structure of smad4-mh1 bound to the ggccg site
Structure deposition date
2016-11-16
Thiol separation (Å)
9
Half-sphere exposure sum ?
51
Minimum pKa ?
9
% buried
22
Peptide accession
Q13485
Residue number A
71
Residue number B
123
Peptide name
Mothers against decapentaplegic homolog 4

Ligandability

Cysteine 71 of Mothers against decapentaplegic homolog 4

Cysteine 123 of Mothers against decapentaplegic homolog 4

A redox-regulated disulphide may form within Mothers against decapentaplegic homolog 4 between cysteines 324 and 391. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
1g88
Structure name
s4afl3arg515 mutant
Structure deposition date
2000-11-16
Thiol separation (Å)
8
Half-sphere exposure sum ?
77
Minimum pKa ?
11
% buried
86
Peptide accession
Q13485
Residue number A
324
Residue number B
391
Peptide name
Mothers against decapentaplegic homolog 4

Ligandability

Cysteine 324 of Mothers against decapentaplegic homolog 4

Cysteine 391 of Mothers against decapentaplegic homolog 4

A redox-regulated disulphide may form within Mothers against decapentaplegic homolog 4 between cysteines 123 and 127. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
3qsv
Structure name
structural basis for dna recognition by constitutive smad4 mh1 dimers
Structure deposition date
2011-02-22
Thiol separation (Å)
9
Half-sphere exposure sum ?
59
Minimum pKa ?
9
% buried
46
Peptide accession
P97471
Residue number A
123
Residue number B
127
Peptide name
Mothers against decapentaplegic homolog 4

Ligandability

Cysteine 123 of Mothers against decapentaplegic homolog 4

Cysteine 127 of Mothers against decapentaplegic homolog 4

A redox-regulated disulphide may form within Mothers against decapentaplegic homolog 4 between cysteines 324 and 345. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
1u7f
Structure name
crystal structure of the phosphorylated smad3/smad4 heterotrimeric complex
Structure deposition date
2004-08-03
Thiol separation (Å)
10
Half-sphere exposure sum ?
64
Minimum pKa ?
9
% buried
50
Peptide accession
Q13485
Residue number A
324
Residue number B
345
Peptide name
Mothers against decapentaplegic homolog 4

Ligandability

Cysteine 324 of Mothers against decapentaplegic homolog 4

Cysteine 345 of Mothers against decapentaplegic homolog 4

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