a tool for identifying drug-targetable redox-active disulphides

RNA helicase

Intramolecular

Cysteine 828 and cysteine 901

Cysteine 705 and cysteine 969

Cysteine 705 and cysteine 706

Cysteine 253 and cysteine 302

A redox-regulated disulphide may form within RNA helicase between cysteines 828 and 901. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

53

PDB code

Structure name

crystal structure of the murine dhx36 helicase in complex with anp

Structure deposition date

2019-10-16

Thiol separation (Å)

6

Half-sphere exposure sum ?

85

Minimum pK_a ?

11

% buried

100

Peptide accession

Residue number A

828

Residue number B

901

Peptide name

RNA helicase

Ligandability

Cysteine 828 of RNA helicase

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 901 of RNA helicase

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 RNA helicase between cysteines 705 and 969. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

46

PDB code

Structure name

crystal structure of the murine dhx36 helicase

Structure deposition date

2019-10-16

Thiol separation (Å)

8

Half-sphere exposure sum ?

66

Minimum pK_a ?

10

% buried

44

Peptide accession

Residue number A

705

Residue number B

969

Peptide name

RNA helicase

Ligandability

Cysteine 705 of RNA helicase

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 969 of RNA helicase

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 RNA helicase between cysteines 705 and 706. 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 murine dhx36 helicase in complex with anp

Structure deposition date

2019-10-16

Thiol separation (Å)

7

Half-sphere exposure sum ?

82

Minimum pK_a ?

11

% buried

80

Peptide accession

Residue number A

705

Residue number B

706

Peptide name

RNA helicase

Ligandability

Cysteine 705 of RNA helicase

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 706 of RNA helicase

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 RNA helicase between cysteines 253 and 302. 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 the murine dhx36 helicase

Structure deposition date

2019-10-16

Thiol separation (Å)

8

Half-sphere exposure sum ?

93

Minimum pK_a ?

13

% buried

100

Peptide accession

Residue number A

253

Residue number B

302

Peptide name

RNA helicase

Ligandability

Cysteine 253 of RNA helicase

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 302 of RNA helicase

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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