a tool for identifying drug-targetable redox-active disulphides

Serine/threonine-protein kinase Nek7

Intermolecular

Cysteine 253 and cysteine 253

Intramolecular

Cysteine 146 and cysteine 274

Cysteine 224 and cysteine 253

Cysteine 224 and cysteine 274

A redox-regulated disulphide may form between two units of Serine/threonine-protein kinase Nek7 at cysteines 253 and 253. 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 nek7

Structure deposition date

2019-07-04

Thiol separation (Å)

10

Half-sphere exposure sum ?

64

Minimum pK_a ?

12

% buried

93

Peptide A name

Serine/threonine-protein kinase Nek7

Peptide B name

Serine/threonine-protein kinase Nek7

Peptide A accession

Peptide B accession

Peptide A residue number

253

Peptide B residue number

253

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 Serine/threonine-protein kinase Nek7 between cysteines 146 and 274. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

36

PDB code

Structure name

crystal structure of human nek7

Structure deposition date

2019-07-04

Thiol separation (Å)

9

Half-sphere exposure sum ?

76

Minimum pK_a ?

12

% buried

96

Peptide accession

Residue number A

146

Residue number B

274

Peptide name

Serine/threonine-protein kinase Nek7

Ligandability

Cysteine 146 of Serine/threonine-protein kinase Nek7

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 274 of Serine/threonine-protein kinase Nek7

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 Serine/threonine-protein kinase Nek7 between cysteines 224 and 253. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

34

PDB code

Structure name

crystal structure of human nek7

Structure deposition date

2019-07-04

Thiol separation (Å)

9

Half-sphere exposure sum ?

71

Minimum pK_a ?

12

% buried

96

Peptide accession

Residue number A

224

Residue number B

253

Peptide name

Serine/threonine-protein kinase Nek7

Ligandability

Cysteine 224 of Serine/threonine-protein kinase Nek7

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 253 of Serine/threonine-protein kinase Nek7

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 Serine/threonine-protein kinase Nek7 between cysteines 224 and 274. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

31

PDB code

Structure name

crystal structure of human nek7

Structure deposition date

2019-07-04

Thiol separation (Å)

9

Half-sphere exposure sum ?

79

Minimum pK_a ?

12

% buried

100

Peptide accession

Residue number A

224

Residue number B

274

Peptide name

Serine/threonine-protein kinase Nek7

Ligandability

Cysteine 224 of Serine/threonine-protein kinase Nek7

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 274 of Serine/threonine-protein kinase Nek7

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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