a tool for identifying drug-targetable redox-active disulphides

Cell surface hyaluronidase

Intramolecular

Cysteine 453 and cysteine 456

Cysteine 502 and cysteine 508

Cysteine 1192 and cysteine 1195

Cysteine 1253 and cysteine 1362

Cysteine 113 and cysteine 194

Cysteine 640 and cysteine 659

Cysteine 978 and cysteine 989

Cysteine 1074 and cysteine 1166

Cysteine 1144 and cysteine 1149

Cysteine 581 and cysteine 604

Cysteine 659 and cysteine 750

Cysteine 640 and cysteine 750

A redox-regulated disulphide may form within Cell surface hyaluronidase between cysteines 453 and 456.

Details

Redox score ?

90

PDB code

Structure name

tmem2 ectodomain

Structure deposition date

2023-01-11

Thiol separation (Å)

2

Half-sphere exposure sum ?

48

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

453

Residue number B

456

Peptide name

Cell surface hyaluronidase

Ligandability

Cysteine 453 of Cell surface hyaluronidase

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 456 of Cell surface hyaluronidase

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 Cell surface hyaluronidase between cysteines 502 and 508.

Details

Redox score ?

89

PDB code

Structure name

tmem2 ectodomain

Structure deposition date

2023-01-11

Thiol separation (Å)

2

Half-sphere exposure sum ?

39

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

502

Residue number B

508

Peptide name

Cell surface hyaluronidase

Ligandability

Cysteine 502 of Cell surface hyaluronidase

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 508 of Cell surface hyaluronidase

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 Cell surface hyaluronidase between cysteines 1192 and 1195.

Details

Redox score ?

87

PDB code

Structure name

tmem2 ectodomain

Structure deposition date

2023-01-11

Thiol separation (Å)

2

Half-sphere exposure sum ?

49

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

1192

Residue number B

1195

Peptide name

Cell surface hyaluronidase

Ligandability

Cysteine 1192 of Cell surface hyaluronidase

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 1195 of Cell surface hyaluronidase

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 Cell surface hyaluronidase between cysteines 1253 and 1362.

Details

Redox score ?

86

PDB code

Structure name

tmem2 ectodomain

Structure deposition date

2023-01-11

Thiol separation (Å)

2

Half-sphere exposure sum ?

50

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

1253

Residue number B

1362

Peptide name

Cell surface hyaluronidase

Ligandability

Cysteine 1253 of Cell surface hyaluronidase

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 1362 of Cell surface hyaluronidase

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 Cell surface hyaluronidase between cysteines 113 and 194.

Details

Redox score ?

85

PDB code

Structure name

tmem2 ectodomain

Structure deposition date

2023-01-11

Thiol separation (Å)

2

Half-sphere exposure sum ?

49

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

113

Residue number B

194

Peptide name

Cell surface hyaluronidase

Ligandability

Cysteine 113 of Cell surface hyaluronidase

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 194 of Cell surface hyaluronidase

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 Cell surface hyaluronidase between cysteines 640 and 659.

Details

Redox score ?

84

PDB code

Structure name

tmem2 ectodomain

Structure deposition date

2023-01-11

Thiol separation (Å)

2

Half-sphere exposure sum ?

80

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

640

Residue number B

659

Peptide name

Cell surface hyaluronidase

Ligandability

Cysteine 640 of Cell surface hyaluronidase

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 659 of Cell surface hyaluronidase

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 Cell surface hyaluronidase between cysteines 978 and 989.

Details

Redox score ?

83

PDB code

Structure name

tmem2 ectodomain

Structure deposition date

2023-01-11

Thiol separation (Å)

2

Half-sphere exposure sum ?

72

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

978

Residue number B

989

Peptide name

Cell surface hyaluronidase

Ligandability

Cysteine 978 of Cell surface hyaluronidase

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 989 of Cell surface hyaluronidase

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 Cell surface hyaluronidase between cysteines 1074 and 1166.

Details

Redox score ?

80

PDB code

Structure name

tmem2 ectodomain

Structure deposition date

2023-01-11

Thiol separation (Å)

2

Half-sphere exposure sum ?

81

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

1074

Residue number B

1166

Peptide name

Cell surface hyaluronidase

Ligandability

Cysteine 1074 of Cell surface hyaluronidase

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 1166 of Cell surface hyaluronidase

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 Cell surface hyaluronidase between cysteines 1144 and 1149.

Details

Redox score ?

79

PDB code

Structure name

tmem2 ectodomain

Structure deposition date

2023-01-11

Thiol separation (Å)

2

Half-sphere exposure sum ?

76

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

1144

Residue number B

1149

Peptide name

Cell surface hyaluronidase

Ligandability

Cysteine 1144 of Cell surface hyaluronidase

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 1149 of Cell surface hyaluronidase

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 Cell surface hyaluronidase between cysteines 581 and 604.

Details

Redox score ?

76

PDB code

Structure name

tmem2 ectodomain

Structure deposition date

2023-01-11

Thiol separation (Å)

2

Half-sphere exposure sum ?

109

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

581

Residue number B

604

Peptide name

Cell surface hyaluronidase

Ligandability

Cysteine 581 of Cell surface hyaluronidase

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 604 of Cell surface hyaluronidase

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 Cell surface hyaluronidase between cysteines 659 and 750. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

44

PDB code

Structure name

tmem2 ectodomain

Structure deposition date

2023-01-11

Thiol separation (Å)

7

Half-sphere exposure sum ?

84

Minimum pK_a ?

13

% buried

nan

Peptide accession

Residue number A

659

Residue number B

750

Peptide name

Cell surface hyaluronidase

Ligandability

Cysteine 659 of Cell surface hyaluronidase

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 750 of Cell surface hyaluronidase

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 Cell surface hyaluronidase between cysteines 640 and 750. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

43

PDB code

Structure name

tmem2 ectodomain

Structure deposition date

2023-01-11

Thiol separation (Å)

8

Half-sphere exposure sum ?

76

Minimum pK_a ?

13

% buried

nan

Peptide accession

Residue number A

640

Residue number B

750

Peptide name

Cell surface hyaluronidase

Ligandability

Cysteine 640 of Cell surface hyaluronidase

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 750 of Cell surface hyaluronidase

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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