ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Mothers against decapentaplegic homolog 2

Intermolecular
Cysteine 380 and cysteine 783 of Zinc finger FYVE domain-containing protein 9
Cysteine 374 and cysteine 783 of Zinc finger FYVE domain-containing protein 9
Cysteine 463 and cysteine 523 of Mothers against decapentaplegic homolog 4
Cysteine 362 and cysteine 783 of Zinc finger FYVE domain-containing protein 9
Cysteine 463 and cysteine 436
Cysteine 349 and cysteine 783 of Zinc finger FYVE domain-containing protein 9
Intramolecular
Cysteine 362 and cysteine 374
Cysteine 349 and cysteine 380
Cysteine 374 and cysteine 380
A redox-regulated disulphide may form between cysteine 380 of Mothers against decapentaplegic homolog 2 and cysteine 783 of Zinc finger FYVE domain-containing protein 9 (380 and 681 respectively in this structure).

Details

Redox score ?
60
PDB code
1dev
Structure name
crystal structure of smad2 mh2 domain bound to the smad-binding domain of sara
Structure deposition date
1999-11-15
Thiol separation (Å)
6
Half-sphere exposure sum ?
66
Minimum pKa ?
10
% buried
48
Peptide A name
Mothers against decapentaplegic homolog 2
Peptide B name
Zinc finger FYVE domain-containing protein 9
Peptide A accession
Q15796
Peptide B accession
O95405
Peptide A residue number
380
Peptide B residue number
783

Ligandability

Cysteine 380 of Mothers against decapentaplegic homolog 2

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 783 of Zinc finger FYVE domain-containing protein 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 between cysteine 374 of Mothers against decapentaplegic homolog 2 and cysteine 783 of Zinc finger FYVE domain-containing protein 9 (374 and 681 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
1dev
Structure name
crystal structure of smad2 mh2 domain bound to the smad-binding domain of sara
Structure deposition date
1999-11-15
Thiol separation (Å)
6
Half-sphere exposure sum ?
82
Minimum pKa ?
13
% buried
86
Peptide A name
Mothers against decapentaplegic homolog 2
Peptide B name
Zinc finger FYVE domain-containing protein 9
Peptide A accession
Q15796
Peptide B accession
O95405
Peptide A residue number
374
Peptide B residue number
783

Ligandability

Cysteine 374 of Mothers against decapentaplegic homolog 2

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 783 of Zinc finger FYVE domain-containing protein 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 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

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 523 of Mothers against decapentaplegic homolog 4

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 cysteine 362 of Mothers against decapentaplegic homolog 2 and cysteine 783 of Zinc finger FYVE domain-containing protein 9 (362 and 681 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
1dev
Structure name
crystal structure of smad2 mh2 domain bound to the smad-binding domain of sara
Structure deposition date
1999-11-15
Thiol separation (Å)
9
Half-sphere exposure sum ?
76
Minimum pKa ?
10
% buried
86
Peptide A name
Mothers against decapentaplegic homolog 2
Peptide B name
Zinc finger FYVE domain-containing protein 9
Peptide A accession
Q15796
Peptide B accession
O95405
Peptide A residue number
362
Peptide B residue number
783

Ligandability

Cysteine 362 of Mothers against decapentaplegic homolog 2

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 783 of Zinc finger FYVE domain-containing protein 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 between two units of Mothers against decapentaplegic homolog 2 at cysteines 463 and 436. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
6m64
Structure name
crystal structure of smad2 in complex with cbp
Structure deposition date
2020-03-13
Thiol separation (Å)
9
Half-sphere exposure sum ?
73
Minimum pKa ?
10
% buried
72
Peptide A name
Mothers against decapentaplegic homolog 2
Peptide B name
Mothers against decapentaplegic homolog 2
Peptide A accession
Q15796
Peptide B accession
Q15796
Peptide A residue number
463
Peptide B residue number
436

Ligandability

Cysteine 463 of Mothers against decapentaplegic homolog 2

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 436 of Mothers against decapentaplegic homolog 2

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 cysteine 349 of Mothers against decapentaplegic homolog 2 and cysteine 783 of Zinc finger FYVE domain-containing protein 9 (349 and 681 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
1dev
Structure name
crystal structure of smad2 mh2 domain bound to the smad-binding domain of sara
Structure deposition date
1999-11-15
Thiol separation (Å)
9
Half-sphere exposure sum ?
75
Minimum pKa ?
11
% buried
68
Peptide A name
Mothers against decapentaplegic homolog 2
Peptide B name
Zinc finger FYVE domain-containing protein 9
Peptide A accession
Q15796
Peptide B accession
O95405
Peptide A residue number
349
Peptide B residue number
783

Ligandability

Cysteine 349 of Mothers against decapentaplegic homolog 2

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 783 of Zinc finger FYVE domain-containing protein 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 2 between cysteines 362 and 374.

Details

Redox score ?
62
PDB code
5xod
Structure name
crystal structure of human smad2-ski complex
Structure deposition date
2017-05-27
Thiol separation (Å)
5
Half-sphere exposure sum ?
64
Minimum pKa ?
10
% buried
28
Peptide accession
Q15796
Residue number A
362
Residue number B
374
Peptide name
Mothers against decapentaplegic homolog 2

Ligandability

Cysteine 362 of Mothers against decapentaplegic homolog 2

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 374 of Mothers against decapentaplegic homolog 2

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 2 between cysteines 349 and 380. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
1dev
Structure name
crystal structure of smad2 mh2 domain bound to the smad-binding domain of sara
Structure deposition date
1999-11-15
Thiol separation (Å)
8
Half-sphere exposure sum ?
74
Minimum pKa ?
10
% buried
44
Peptide accession
Q15796
Residue number A
349
Residue number B
380
Peptide name
Mothers against decapentaplegic homolog 2

Ligandability

Cysteine 349 of Mothers against decapentaplegic homolog 2

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 380 of Mothers against decapentaplegic homolog 2

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 2 between cysteines 374 and 380. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
1khx
Structure name
crystal structure of a phosphorylated smad2
Structure deposition date
2001-12-01
Thiol separation (Å)
10
Half-sphere exposure sum ?
59
Minimum pKa ?
9
% buried
20
Peptide accession
Q15796
Residue number A
374
Residue number B
380
Peptide name
Mothers against decapentaplegic homolog 2

Ligandability

Cysteine 374 of Mothers against decapentaplegic homolog 2

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 380 of Mothers against decapentaplegic homolog 2

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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