a tool for identifying drug-targetable redox-active disulphides

WD repeat-containing protein 47

Intermolecular

Cysteine 207 and cysteine 207

Intramolecular

Cysteine 233 and cysteine 237

Cysteine 206 and cysteine 207

Cysteine 128 and cysteine 138

Cysteine 207 and cysteine 211

A redox-regulated disulphide may form between two units of WD repeat-containing protein 47 at cysteines 207 and 207. 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 the mouse wdr47 ntd

Structure deposition date

2021-12-23

Thiol separation (Å)

8

Half-sphere exposure sum ?

82

Minimum pK_a ?

13

% buried

100

Peptide A name

WD repeat-containing protein 47

Peptide B name

WD repeat-containing protein 47

Peptide A accession

Peptide B accession

Peptide A residue number

207

Peptide B residue number

207

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 WD repeat-containing protein 47 between cysteines 233 and 237.

Details

Redox score ?

81

PDB code

Structure name

crystal structure of the mouse wdr47 ntd in complex with the wbr motif form camsap3

Structure deposition date

2021-12-23

Thiol separation (Å)

4

Half-sphere exposure sum ?

nan

Minimum pK_a ?

9

% buried

24

Peptide accession

Residue number A

233

Residue number B

237

Peptide name

WD repeat-containing protein 47

Ligandability

Cysteine 233 of WD repeat-containing protein 47

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 237 of WD repeat-containing protein 47

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 WD repeat-containing protein 47 between cysteines 206 and 207. 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

crystal structure of the mouse wdr47 ntd

Structure deposition date

2021-12-23

Thiol separation (Å)

7

Half-sphere exposure sum ?

77

Minimum pK_a ?

12

% buried

87

Peptide accession

Residue number A

206

Residue number B

207

Peptide name

WD repeat-containing protein 47

Ligandability

Cysteine 206 of WD repeat-containing protein 47

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 207 of WD repeat-containing protein 47

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 WD repeat-containing protein 47 between cysteines 128 and 138. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

42

PDB code

Structure name

crystal structure of the mouse wdr47 ntd in complex with the wbr motif form camsap3

Structure deposition date

2021-12-23

Thiol separation (Å)

10

Half-sphere exposure sum ?

53

Minimum pK_a ?

9

% buried

12

Peptide accession

Residue number A

128

Residue number B

138

Peptide name

WD repeat-containing protein 47

Ligandability

Cysteine 128 of WD repeat-containing protein 47

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 138 of WD repeat-containing protein 47

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 WD repeat-containing protein 47 between cysteines 207 and 211. 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 the mouse wdr47 ntd in complex with the wbr motif form camsap3

Structure deposition date

2021-12-23

Thiol separation (Å)

7

Half-sphere exposure sum ?

84

Minimum pK_a ?

13

% buried

100

Peptide accession

Residue number A

207

Residue number B

211

Peptide name

WD repeat-containing protein 47

Ligandability

Cysteine 207 of WD repeat-containing protein 47

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 211 of WD repeat-containing protein 47

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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