a tool for identifying drug-targetable redox-active disulphides

Alpha-2-macroglobulin-like protein 1

Intramolecular

Cysteine 633 and cysteine 694

Cysteine 1338 and cysteine 1453

Cysteine 845 and cysteine 881

Cysteine 259 and cysteine 279

Cysteine 464 and cysteine 557

Cysteine 40 and cysteine 78

Cysteine 589 and cysteine 769

Cysteine 819 and cysteine 847

Cysteine 241 and cysteine 291

Cysteine 1075 and cysteine 1123

Cysteine 919 and cysteine 1307

Cysteine 845 and cysteine 847

Cysteine 819 and cysteine 881

Cysteine 847 and cysteine 881

Cysteine 819 and cysteine 845

Cysteine 242 and cysteine 291

Cysteine 241 and cysteine 242

A redox-regulated disulphide may form within Alpha-2-macroglobulin-like protein 1 between cysteines 633 and 694.

Details

Redox score ?

90

PDB code

Structure name

x-ray structure of human a2ml1

Structure deposition date

2021-10-22

Thiol separation (Å)

2

Half-sphere exposure sum ?

25

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

633

Residue number B

694

Peptide name

Alpha-2-macroglobulin-like protein 1

Ligandability

Cysteine 633 of Alpha-2-macroglobulin-like protein 1

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 694 of Alpha-2-macroglobulin-like protein 1

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-like protein 1 between cysteines 1338 and 1453.

Details

Redox score ?

88

PDB code

Structure name

x-ray structure of human a2ml1

Structure deposition date

2021-10-22

Thiol separation (Å)

2

Half-sphere exposure sum ?

36

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

1338

Residue number B

1453

Peptide name

Alpha-2-macroglobulin-like protein 1

Ligandability

Cysteine 1338 of Alpha-2-macroglobulin-like protein 1

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 1453 of Alpha-2-macroglobulin-like protein 1

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-like protein 1 between cysteines 845 and 881.

Details

Redox score ?

86

PDB code

Structure name

x-ray structure of human a2ml1

Structure deposition date

2021-10-22

Thiol separation (Å)

2

Half-sphere exposure sum ?

60

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

845

Residue number B

881

Peptide name

Alpha-2-macroglobulin-like protein 1

Ligandability

Cysteine 845 of Alpha-2-macroglobulin-like protein 1

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 881 of Alpha-2-macroglobulin-like protein 1

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-like protein 1 between cysteines 259 and 279.

Details

Redox score ?

83

PDB code

Structure name

x-ray structure of human a2ml1

Structure deposition date

2021-10-22

Thiol separation (Å)

2

Half-sphere exposure sum ?

58

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

259

Residue number B

279

Peptide name

Alpha-2-macroglobulin-like protein 1

Ligandability

Cysteine 259 of Alpha-2-macroglobulin-like protein 1

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 279 of Alpha-2-macroglobulin-like protein 1

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-like protein 1 between cysteines 464 and 557.

Details

Redox score ?

83

PDB code

Structure name

x-ray structure of human a2ml1

Structure deposition date

2021-10-22

Thiol separation (Å)

2

Half-sphere exposure sum ?

63

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

464

Residue number B

557

Peptide name

Alpha-2-macroglobulin-like protein 1

Ligandability

Cysteine 464 of Alpha-2-macroglobulin-like protein 1

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 557 of Alpha-2-macroglobulin-like protein 1

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-like protein 1 between cysteines 40 and 78.

Details

Redox score ?

82

PDB code

Structure name

x-ray structure of human a2ml1

Structure deposition date

2021-10-22

Thiol separation (Å)

2

Half-sphere exposure sum ?

69

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

40

Residue number B

78

Peptide name

Alpha-2-macroglobulin-like protein 1

Ligandability

Cysteine 40 of Alpha-2-macroglobulin-like protein 1

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 78 of Alpha-2-macroglobulin-like protein 1

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-like protein 1 between cysteines 589 and 769.

Details

Redox score ?

81

PDB code

Structure name

x-ray structure of human a2ml1

Structure deposition date

2021-10-22

Thiol separation (Å)

2

Half-sphere exposure sum ?

92

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

589

Residue number B

769

Peptide name

Alpha-2-macroglobulin-like protein 1

Ligandability

Cysteine 589 of Alpha-2-macroglobulin-like protein 1

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 769 of Alpha-2-macroglobulin-like protein 1

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-like protein 1 between cysteines 819 and 847.

Details

Redox score ?

81

PDB code

Structure name

x-ray structure of human a2ml1

Structure deposition date

2021-10-22

Thiol separation (Å)

2

Half-sphere exposure sum ?

61

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

819

Residue number B

847

Peptide name

Alpha-2-macroglobulin-like protein 1

Ligandability

Cysteine 819 of Alpha-2-macroglobulin-like protein 1

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-like protein 1

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-like protein 1 between cysteines 241 and 291.

Details

Redox score ?

80

PDB code

Structure name

x-ray structure of human a2ml1

Structure deposition date

2021-10-22

Thiol separation (Å)

2

Half-sphere exposure sum ?

68

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

241

Residue number B

291

Peptide name

Alpha-2-macroglobulin-like protein 1

Ligandability

Cysteine 241 of Alpha-2-macroglobulin-like protein 1

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 291 of Alpha-2-macroglobulin-like protein 1

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-like protein 1 between cysteines 1075 and 1123.

Details

Redox score ?

80

PDB code

Structure name

x-ray structure of human a2ml1

Structure deposition date

2021-10-22

Thiol separation (Å)

2

Half-sphere exposure sum ?

83

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

1075

Residue number B

1123

Peptide name

Alpha-2-macroglobulin-like protein 1

Ligandability

Cysteine 1075 of Alpha-2-macroglobulin-like protein 1

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 1123 of Alpha-2-macroglobulin-like protein 1

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-like protein 1 between cysteines 919 and 1307.

Details

Redox score ?

77

PDB code

Structure name

x-ray structure of human a2ml1

Structure deposition date

2021-10-22

Thiol separation (Å)

2

Half-sphere exposure sum ?

75

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

919

Residue number B

1307

Peptide name

Alpha-2-macroglobulin-like protein 1

Ligandability

Cysteine 919 of Alpha-2-macroglobulin-like protein 1

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 1307 of Alpha-2-macroglobulin-like protein 1

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-like protein 1 between cysteines 845 and 847.

Details

Redox score ?

65

PDB code

Structure name

x-ray structure of human a2ml1

Structure deposition date

2021-10-22

Thiol separation (Å)

5

Half-sphere exposure sum ?

63

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

845

Residue number B

847

Peptide name

Alpha-2-macroglobulin-like protein 1

Ligandability

Cysteine 845 of Alpha-2-macroglobulin-like protein 1

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-like protein 1

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-like protein 1 between cysteines 819 and 881.

Details

Redox score ?

64

PDB code

Structure name

x-ray structure of human a2ml1

Structure deposition date

2021-10-22

Thiol separation (Å)

6

Half-sphere exposure sum ?

59

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

819

Residue number B

881

Peptide name

Alpha-2-macroglobulin-like protein 1

Ligandability

Cysteine 819 of Alpha-2-macroglobulin-like protein 1

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 881 of Alpha-2-macroglobulin-like protein 1

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-like protein 1 between cysteines 847 and 881.

Details

Redox score ?

63

PDB code

Structure name

x-ray structure of human a2ml1

Structure deposition date

2021-10-22

Thiol separation (Å)

6

Half-sphere exposure sum ?

54

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

847

Residue number B

881

Peptide name

Alpha-2-macroglobulin-like protein 1

Ligandability

Cysteine 847 of Alpha-2-macroglobulin-like protein 1

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 881 of Alpha-2-macroglobulin-like protein 1

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-like protein 1 between cysteines 819 and 845.

Details

Redox score ?

63

PDB code

Structure name

x-ray structure of human a2ml1

Structure deposition date

2021-10-22

Thiol separation (Å)

5

Half-sphere exposure sum ?

69

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

819

Residue number B

845

Peptide name

Alpha-2-macroglobulin-like protein 1

Ligandability

Cysteine 819 of Alpha-2-macroglobulin-like protein 1

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 845 of Alpha-2-macroglobulin-like protein 1

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-like protein 1 between cysteines 242 and 291. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

38

PDB code

Structure name

x-ray structure of human a2ml1

Structure deposition date

2021-10-22

Thiol separation (Å)

9

Half-sphere exposure sum ?

75

Minimum pK_a ?

11

% buried

nan

Peptide accession

Residue number A

242

Residue number B

291

Peptide name

Alpha-2-macroglobulin-like protein 1

Ligandability

Cysteine 242 of Alpha-2-macroglobulin-like protein 1

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 291 of Alpha-2-macroglobulin-like protein 1

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-like protein 1 between cysteines 241 and 242. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

37

PDB code

Structure name

x-ray structure of human a2ml1

Structure deposition date

2021-10-22

Thiol separation (Å)

8

Half-sphere exposure sum ?

80

Minimum pK_a ?

11

% buried

nan

Peptide accession

Residue number A

241

Residue number B

242

Peptide name

Alpha-2-macroglobulin-like protein 1

Ligandability

Cysteine 241 of Alpha-2-macroglobulin-like protein 1

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 242 of Alpha-2-macroglobulin-like protein 1

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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