a tool for identifying drug-targetable redox-active disulphides

CD180 antigen

Intramolecular

Cysteine 337 and cysteine 365

Cysteine 583 and cysteine 625

Cysteine 387 and cysteine 388

Cysteine 581 and cysteine 607

Cysteine 28 and cysteine 39

Cysteine 272 and cysteine 296

Cysteine 388 and cysteine 419

Cysteine 387 and cysteine 419

Cysteine 39 and cysteine 87

A redox-regulated disulphide may form within CD180 antigen between cysteines 337 and 365.

Details

Redox score ?

84

PDB code

Structure name

crystal structure of human rp105/md-1 complex

Structure deposition date

2011-07-29

Thiol separation (Å)

2

Half-sphere exposure sum ?

53

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

337

Residue number B

365

Peptide name

CD180 antigen

Ligandability

Cysteine 337 of CD180 antigen

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 365 of CD180 antigen

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 CD180 antigen between cysteines 583 and 625.

Details

Redox score ?

84

PDB code

Structure name

crystal structure of human rp105/md-1 complex

Structure deposition date

2011-07-29

Thiol separation (Å)

4

Half-sphere exposure sum ?

32

Minimum pK_a ?

9

% buried

0

Peptide accession

Residue number A

583

Residue number B

625

Peptide name

CD180 antigen

Ligandability

Cysteine 583 of CD180 antigen

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 625 of CD180 antigen

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 CD180 antigen between cysteines 387 and 388.

Details

Redox score ?

83

PDB code

Structure name

crystal structure of human rp105/md-1 complex

Structure deposition date

2011-07-29

Thiol separation (Å)

2

Half-sphere exposure sum ?

66

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

387

Residue number B

388

Peptide name

CD180 antigen

Ligandability

Cysteine 387 of CD180 antigen

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 388 of CD180 antigen

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 CD180 antigen between cysteines 581 and 607.

Details

Redox score ?

82

PDB code

Structure name

crystal structure of human rp105/md-1 complex

Structure deposition date

2011-07-29

Thiol separation (Å)

2

Half-sphere exposure sum ?

73

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

581

Residue number B

607

Peptide name

CD180 antigen

Ligandability

Cysteine 581 of CD180 antigen

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 607 of CD180 antigen

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 CD180 antigen between cysteines 28 and 39.

Details

Redox score ?

80

PDB code

Structure name

crystal structure of human rp105/md-1 complex

Structure deposition date

2011-07-29

Thiol separation (Å)

3

Half-sphere exposure sum ?

58

Minimum pK_a ?

9

% buried

46

Peptide accession

Residue number A

28

Residue number B

39

Peptide name

CD180 antigen

Ligandability

Cysteine 28 of CD180 antigen

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 39 of CD180 antigen

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 CD180 antigen between cysteines 272 and 296.

Details

Redox score ?

77

PDB code

Structure name

crystal structure of human rp105/md-1 complex

Structure deposition date

2011-07-29

Thiol separation (Å)

4

Half-sphere exposure sum ?

53

Minimum pK_a ?

9

% buried

18

Peptide accession

Residue number A

272

Residue number B

296

Peptide name

CD180 antigen

Ligandability

Cysteine 272 of CD180 antigen

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 296 of CD180 antigen

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 CD180 antigen between cysteines 388 and 419. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

41

PDB code

Structure name

crystal structure of human rp105/md-1 complex

Structure deposition date

2011-07-29

Thiol separation (Å)

8

Half-sphere exposure sum ?

71

Minimum pK_a ?

13

% buried

nan

Peptide accession

Residue number A

388

Residue number B

419

Peptide name

CD180 antigen

Ligandability

Cysteine 388 of CD180 antigen

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 419 of CD180 antigen

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 CD180 antigen between cysteines 387 and 419. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

32

PDB code

Structure name

crystal structure of human rp105/md-1 complex

Structure deposition date

2011-07-29

Thiol separation (Å)

10

Half-sphere exposure sum ?

71

Minimum pK_a ?

13

% buried

nan

Peptide accession

Residue number A

387

Residue number B

419

Peptide name

CD180 antigen

Ligandability

Cysteine 387 of CD180 antigen

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 419 of CD180 antigen

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 CD180 antigen between cysteines 39 and 87. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

30

PDB code

Structure name

crystal structure of human rp105/md-1 complex

Structure deposition date

2011-07-29

Thiol separation (Å)

10

Half-sphere exposure sum ?

70

Minimum pK_a ?

12

% buried

75

Peptide accession

Residue number A

39

Residue number B

87

Peptide name

CD180 antigen

Ligandability

Cysteine 39 of CD180 antigen

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 87 of CD180 antigen

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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