a tool for identifying drug-targetable redox-active disulphides

Rho-related GTP-binding protein Rho6

Intramolecular

Cysteine 14 and cysteine 187

Cysteine 24 and cysteine 125

Cysteine 24 and cysteine 91

Cysteine 91 and cysteine 125

A redox-regulated disulphide may form within Rho-related GTP-binding protein Rho6 between cysteines 14 and 187.

Details

Redox score ?

78

PDB code

Structure name

the crystal structure of the human rnd1 gtpase in the active gtp bound state

Structure deposition date

2006-04-28

Thiol separation (Å)

4

Half-sphere exposure sum ?

60

Minimum pK_a ?

7

% buried

52

Peptide accession

Residue number A

14

Residue number B

187

Peptide name

Rho-related GTP-binding protein Rho6

Ligandability

Cysteine 14 of Rho-related GTP-binding protein Rho6

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 187 of Rho-related GTP-binding protein Rho6

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 Rho-related GTP-binding protein Rho6 between cysteines 24 and 125.

Details

Redox score ?

63

PDB code

Structure name

crystal structure of the effector domain of plxnb1 bound with rnd1 gtpase

Structure deposition date

2007-09-27

Thiol separation (Å)

5

Half-sphere exposure sum ?

86

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

24

Residue number B

125

Peptide name

Rho-related GTP-binding protein Rho6

Ligandability

Cysteine 24 of Rho-related GTP-binding protein Rho6

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 125 of Rho-related GTP-binding protein Rho6

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 Rho-related GTP-binding protein Rho6 between cysteines 24 and 91.

Details

Redox score ?

62

PDB code

Structure name

crystal structure of the effector domain of plxnb1 bound with rnd1 gtpase

Structure deposition date

2007-09-27

Thiol separation (Å)

5

Half-sphere exposure sum ?

85

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

24

Residue number B

91

Peptide name

Rho-related GTP-binding protein Rho6

Ligandability

Cysteine 24 of Rho-related GTP-binding protein Rho6

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 91 of Rho-related GTP-binding protein Rho6

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 Rho-related GTP-binding protein Rho6 between cysteines 91 and 125. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

57

PDB code

Structure name

the crystal structure of the human rnd1 gtpase in the active gtp bound state

Structure deposition date

2006-04-28

Thiol separation (Å)

5

Half-sphere exposure sum ?

91

Minimum pK_a ?

10

% buried

100

Peptide accession

Residue number A

91

Residue number B

125

Peptide name

Rho-related GTP-binding protein Rho6

Ligandability

Cysteine 91 of Rho-related GTP-binding protein Rho6

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 125 of Rho-related GTP-binding protein Rho6

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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