ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Mothers against decapentaplegic homolog 7

Intermolecular
Cysteine 278 and cysteine 278
Cysteine 319 and cysteine 319
Intramolecular
Cysteine 415 and cysteine 417
Cysteine 262 and cysteine 278
A redox-regulated disulphide may form between two units of Mothers against decapentaplegic homolog 7 at cysteines 278 and 278.

Details

Redox score ?
61
PDB code
7cd1
Structure name
crystal structure of inhibitory smad, smad7
Structure deposition date
2020-06-18
Thiol separation (Å)
5
Half-sphere exposure sum ?
88
Minimum pKa ?
10
% buried
100
Peptide A name
Mothers against decapentaplegic homolog 7
Peptide B name
Mothers against decapentaplegic homolog 7
Peptide A accession
O35253
Peptide B accession
O35253
Peptide A residue number
278
Peptide B residue number
278

Ligandability

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 between two units of Mothers against decapentaplegic homolog 7 at cysteines 319 and 319. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
7cd1
Structure name
crystal structure of inhibitory smad, smad7
Structure deposition date
2020-06-18
Thiol separation (Å)
8
Half-sphere exposure sum ?
80
Minimum pKa ?
10
% buried
63
Peptide A name
Mothers against decapentaplegic homolog 7
Peptide B name
Mothers against decapentaplegic homolog 7
Peptide A accession
O35253
Peptide B accession
O35253
Peptide A residue number
319
Peptide B residue number
319

Ligandability

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 7 between cysteines 415 and 417. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
7cd1
Structure name
crystal structure of inhibitory smad, smad7
Structure deposition date
2020-06-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
79
Minimum pKa ?
11
% buried
84
Peptide accession
O35253
Residue number A
415
Residue number B
417
Peptide name
Mothers against decapentaplegic homolog 7

Ligandability

Cysteine 415 of Mothers against decapentaplegic homolog 7

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 417 of Mothers against decapentaplegic homolog 7

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 7 between cysteines 262 and 278. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
7cd1
Structure name
crystal structure of inhibitory smad, smad7
Structure deposition date
2020-06-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
85
Minimum pKa ?
13
% buried
100
Peptide accession
O35253
Residue number A
262
Residue number B
278
Peptide name
Mothers against decapentaplegic homolog 7

Ligandability

Cysteine 262 of Mothers against decapentaplegic homolog 7

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 278 of Mothers against decapentaplegic homolog 7

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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