ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Alpha-2-macroglobulin

Intermolecular
Cysteine 431 and cysteine 278
Intramolecular
Cysteine 269 and cysteine 287
Cysteine 1352 and cysteine 1467
Cysteine 470 and cysteine 563
Cysteine 847 and cysteine 883
Cysteine 595 and cysteine 771
Cysteine 251 and cysteine 299
Cysteine 1079 and cysteine 1127
Cysteine 821 and cysteine 849
Cysteine 921 and cysteine 1321
More...
Cysteine 642 and cysteine 689
Cysteine 48 and cysteine 86
Cysteine 821 and cysteine 847
Cysteine 847 and cysteine 849
Cysteine 849 and cysteine 883
Cysteine 821 and cysteine 883
A redox-regulated disulphide may form between two units of Alpha-2-macroglobulin at cysteines 431 and 278.

Details

Redox score ?
88
PDB code
6tav
Structure name
crystal structure of endopeptidase-induced alpha2-macroglobulin
Structure deposition date
2019-10-30
Thiol separation (Å)
2
Half-sphere exposure sum ?
41
Minimum pKa ?
nan
% buried
nan
Peptide A name
Alpha-2-macroglobulin
Peptide B name
Alpha-2-macroglobulin
Peptide A accession
P01023
Peptide B accession
P01023
Peptide A residue number
431
Peptide B residue number
278

Ligandability

Cysteine 431 of Alpha-2-macroglobulin

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 Alpha-2-macroglobulin

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 Alpha-2-macroglobulin between cysteines 269 and 287.

Details

Redox score ?
85
PDB code
6tav
Structure name
crystal structure of endopeptidase-induced alpha2-macroglobulin
Structure deposition date
2019-10-30
Thiol separation (Å)
2
Half-sphere exposure sum ?
49
Minimum pKa ?
nan
% buried
nan
Peptide accession
P01023
Residue number A
269
Residue number B
287
Peptide name
Alpha-2-macroglobulin

Ligandability

Cysteine 269 of Alpha-2-macroglobulin

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 287 of Alpha-2-macroglobulin

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 Alpha-2-macroglobulin between cysteines 1352 and 1467 (17 and 131 respectively in this structure).

Details

Redox score ?
84
PDB code
1ayo
Structure name
receptor binding domain of bovine alpha-2-macroglobulin
Structure deposition date
1997-11-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
48
Minimum pKa ?
nan
% buried
nan
Peptide accession
P01023
Residue number A
1352
Residue number B
1467
Peptide name
Alpha-2-macroglobulin

Ligandability

Cysteine 1352 of Alpha-2-macroglobulin

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 1467 of Alpha-2-macroglobulin

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 Alpha-2-macroglobulin between cysteines 470 and 563.

Details

Redox score ?
84
PDB code
6tav
Structure name
crystal structure of endopeptidase-induced alpha2-macroglobulin
Structure deposition date
2019-10-30
Thiol separation (Å)
2
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
P01023
Residue number A
470
Residue number B
563
Peptide name
Alpha-2-macroglobulin

Ligandability

Cysteine 470 of Alpha-2-macroglobulin

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 563 of Alpha-2-macroglobulin

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 Alpha-2-macroglobulin between cysteines 847 and 883.

Details

Redox score ?
83
PDB code
6tav
Structure name
crystal structure of endopeptidase-induced alpha2-macroglobulin
Structure deposition date
2019-10-30
Thiol separation (Å)
2
Half-sphere exposure sum ?
49
Minimum pKa ?
nan
% buried
nan
Peptide accession
P01023
Residue number A
847
Residue number B
883
Peptide name
Alpha-2-macroglobulin

Ligandability

Cysteine 847 of Alpha-2-macroglobulin

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 883 of Alpha-2-macroglobulin

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 Alpha-2-macroglobulin between cysteines 595 and 771.

Details

Redox score ?
82
PDB code
6tav
Structure name
crystal structure of endopeptidase-induced alpha2-macroglobulin
Structure deposition date
2019-10-30
Thiol separation (Å)
2
Half-sphere exposure sum ?
92
Minimum pKa ?
nan
% buried
nan
Peptide accession
P01023
Residue number A
595
Residue number B
771
Peptide name
Alpha-2-macroglobulin

Ligandability

Cysteine 595 of Alpha-2-macroglobulin

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 771 of Alpha-2-macroglobulin

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 Alpha-2-macroglobulin between cysteines 251 and 299.

Details

Redox score ?
82
PDB code
6tav
Structure name
crystal structure of endopeptidase-induced alpha2-macroglobulin
Structure deposition date
2019-10-30
Thiol separation (Å)
2
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
P01023
Residue number A
251
Residue number B
299
Peptide name
Alpha-2-macroglobulin

Ligandability

Cysteine 251 of Alpha-2-macroglobulin

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 299 of Alpha-2-macroglobulin

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 Alpha-2-macroglobulin between cysteines 1079 and 1127.

Details

Redox score ?
82
PDB code
6tav
Structure name
crystal structure of endopeptidase-induced alpha2-macroglobulin
Structure deposition date
2019-10-30
Thiol separation (Å)
2
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide accession
P01023
Residue number A
1079
Residue number B
1127
Peptide name
Alpha-2-macroglobulin

Ligandability

Cysteine 1079 of Alpha-2-macroglobulin

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 1127 of Alpha-2-macroglobulin

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 Alpha-2-macroglobulin between cysteines 821 and 849.

Details

Redox score ?
81
PDB code
6tav
Structure name
crystal structure of endopeptidase-induced alpha2-macroglobulin
Structure deposition date
2019-10-30
Thiol separation (Å)
2
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
P01023
Residue number A
821
Residue number B
849
Peptide name
Alpha-2-macroglobulin

Ligandability

Cysteine 821 of Alpha-2-macroglobulin

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 849 of Alpha-2-macroglobulin

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 Alpha-2-macroglobulin between cysteines 921 and 1321.

Details

Redox score ?
78
PDB code
6tav
Structure name
crystal structure of endopeptidase-induced alpha2-macroglobulin
Structure deposition date
2019-10-30
Thiol separation (Å)
2
Half-sphere exposure sum ?
85
Minimum pKa ?
nan
% buried
nan
Peptide accession
P01023
Residue number A
921
Residue number B
1321
Peptide name
Alpha-2-macroglobulin

Ligandability

Cysteine 921 of Alpha-2-macroglobulin

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 1321 of Alpha-2-macroglobulin

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 Alpha-2-macroglobulin between cysteines 642 and 689.

Details

Redox score ?
77
PDB code
7voo
Structure name
induced alpha-2-macroglobulin monomer
Structure deposition date
2021-10-14
Thiol separation (Å)
5
Half-sphere exposure sum ?
nan
Minimum pKa ?
9
% buried
0
Peptide accession
P01023
Residue number A
642
Residue number B
689
Peptide name
Alpha-2-macroglobulin

Ligandability

Cysteine 642 of Alpha-2-macroglobulin

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 689 of Alpha-2-macroglobulin

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 Alpha-2-macroglobulin between cysteines 48 and 86.

Details

Redox score ?
64
PDB code
7von
Structure name
native alpha-2-macroglobulin monomer
Structure deposition date
2021-10-14
Thiol separation (Å)
5
Half-sphere exposure sum ?
63
Minimum pKa ?
9
% buried
46
Peptide accession
P01023
Residue number A
48
Residue number B
86
Peptide name
Alpha-2-macroglobulin

Ligandability

Cysteine 48 of Alpha-2-macroglobulin

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 86 of Alpha-2-macroglobulin

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 Alpha-2-macroglobulin between cysteines 821 and 847. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
60
PDB code
6tav
Structure name
crystal structure of endopeptidase-induced alpha2-macroglobulin
Structure deposition date
2019-10-30
Thiol separation (Å)
6
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
P01023
Residue number A
821
Residue number B
847
Peptide name
Alpha-2-macroglobulin

Ligandability

Cysteine 821 of Alpha-2-macroglobulin

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 847 of Alpha-2-macroglobulin

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 Alpha-2-macroglobulin between cysteines 847 and 849. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
59
PDB code
6tav
Structure name
crystal structure of endopeptidase-induced alpha2-macroglobulin
Structure deposition date
2019-10-30
Thiol separation (Å)
6
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P01023
Residue number A
847
Residue number B
849
Peptide name
Alpha-2-macroglobulin

Ligandability

Cysteine 847 of Alpha-2-macroglobulin

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 849 of Alpha-2-macroglobulin

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 Alpha-2-macroglobulin between cysteines 849 and 883. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
6tav
Structure name
crystal structure of endopeptidase-induced alpha2-macroglobulin
Structure deposition date
2019-10-30
Thiol separation (Å)
7
Half-sphere exposure sum ?
48
Minimum pKa ?
nan
% buried
nan
Peptide accession
P01023
Residue number A
849
Residue number B
883
Peptide name
Alpha-2-macroglobulin

Ligandability

Cysteine 849 of Alpha-2-macroglobulin

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 883 of Alpha-2-macroglobulin

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 Alpha-2-macroglobulin between cysteines 821 and 883. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
6tav
Structure name
crystal structure of endopeptidase-induced alpha2-macroglobulin
Structure deposition date
2019-10-30
Thiol separation (Å)
7
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide accession
P01023
Residue number A
821
Residue number B
883
Peptide name
Alpha-2-macroglobulin

Ligandability

Cysteine 821 of Alpha-2-macroglobulin

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 883 of Alpha-2-macroglobulin

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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