a tool for identifying drug-targetable redox-active disulphides

ATPase WRNIP1

Intermolecular

Cysteine 39 and cysteine 39

Intramolecular

Cysteine 20 and cysteine 23

Cysteine 20 and cysteine 39

Cysteine 23 and cysteine 39

A redox-regulated disulphide may form between two units of ATPase WRNIP1 at cysteines 39 and 39.

Details

Redox score ?

88

PDB code

Structure name

crystal structure of ubz of human wrnip1

Structure deposition date

2011-09-06

Thiol separation (Å)

2

Half-sphere exposure sum ?

37

Minimum pK_a ?

nan

% buried

nan

Peptide A name

ATPase WRNIP1

Peptide B name

ATPase WRNIP1

Peptide A accession

Peptide B accession

Peptide A residue number

39

Peptide B residue number

39

Ligandability

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 ATPase WRNIP1 between cysteines 20 and 23 (244 and 247 respectively in this structure).

Details

Redox score ?

79

PDB code

Structure name

crystal structure of gfp-wrnip1 ubz domain fusion protein in complex with ubiquitin

Structure deposition date

2011-09-06

Thiol separation (Å)

4

Half-sphere exposure sum ?

59

Minimum pK_a ?

7

% buried

34

Peptide accession

Residue number A

20

Residue number B

23

Peptide name

ATPase WRNIP1

Ligandability

Cysteine 20 of ATPase WRNIP1

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 23 of ATPase WRNIP1

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 ATPase WRNIP1 between cysteines 20 and 39.

Details

Redox score ?

65

PDB code

Structure name

crystal structure of ubz of human wrnip1

Structure deposition date

2011-09-06

Thiol separation (Å)

7

Half-sphere exposure sum ?

44

Minimum pK_a ?

7

% buried

nan

Peptide accession

Residue number A

20

Residue number B

39

Peptide name

ATPase WRNIP1

Ligandability

Cysteine 20 of ATPase WRNIP1

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 ATPase WRNIP1

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 ATPase WRNIP1 between cysteines 23 and 39.

Details

Redox score ?

64

PDB code

Structure name

crystal structure of ubz of human wrnip1

Structure deposition date

2011-09-06

Thiol separation (Å)

6

Half-sphere exposure sum ?

36

Minimum pK_a ?

8

% buried

nan

Peptide accession

Residue number A

23

Residue number B

39

Peptide name

ATPase WRNIP1

Ligandability

Cysteine 23 of ATPase WRNIP1

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 ATPase WRNIP1

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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