ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Probable ATP-dependent RNA helicase DDX41

Intramolecular
Cysteine 281 and cysteine 294
Cysteine 243 and cysteine 281
Cysteine 243 and cysteine 294
Cysteine 243 and cysteine 338
A redox-regulated disulphide may form within Probable ATP-dependent RNA helicase DDX41 between cysteines 281 and 294.

Details

Redox score ?
77
PDB code
5gvs
Structure name
crystal structure of the ddx41 dead domain in an apo open form
Structure deposition date
2016-09-06
Thiol separation (Å)
3
Half-sphere exposure sum ?
70
Minimum pKa ?
8
% buried
79
Peptide accession
Q9UJV9
Residue number A
281
Residue number B
294
Peptide name
Probable ATP-dependent RNA helicase DDX41

Ligandability

Cysteine 281 of Probable ATP-dependent RNA helicase DDX41

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 294 of Probable ATP-dependent RNA helicase DDX41

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 Probable ATP-dependent RNA helicase DDX41 between cysteines 243 and 281. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
5h1y
Structure name
crystal structure of the ddx41 dead domain in complex with so42- and mg2+
Structure deposition date
2016-10-13
Thiol separation (Å)
7
Half-sphere exposure sum ?
72
Minimum pKa ?
9
% buried
96
Peptide accession
Q9UJV9
Residue number A
243
Residue number B
281
Peptide name
Probable ATP-dependent RNA helicase DDX41

Ligandability

Cysteine 243 of Probable ATP-dependent RNA helicase DDX41

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 281 of Probable ATP-dependent RNA helicase DDX41

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 Probable ATP-dependent RNA helicase DDX41 between cysteines 243 and 294. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
5gvs
Structure name
crystal structure of the ddx41 dead domain in an apo open form
Structure deposition date
2016-09-06
Thiol separation (Å)
8
Half-sphere exposure sum ?
74
Minimum pKa ?
13
% buried
92
Peptide accession
Q9UJV9
Residue number A
243
Residue number B
294
Peptide name
Probable ATP-dependent RNA helicase DDX41

Ligandability

Cysteine 243 of Probable ATP-dependent RNA helicase DDX41

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 294 of Probable ATP-dependent RNA helicase DDX41

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 Probable ATP-dependent RNA helicase DDX41 between cysteines 243 and 338. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
5gvs
Structure name
crystal structure of the ddx41 dead domain in an apo open form
Structure deposition date
2016-09-06
Thiol separation (Å)
9
Half-sphere exposure sum ?
70
Minimum pKa ?
12
% buried
100
Peptide accession
Q9UJV9
Residue number A
243
Residue number B
338
Peptide name
Probable ATP-dependent RNA helicase DDX41

Ligandability

Cysteine 243 of Probable ATP-dependent RNA helicase DDX41

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 338 of Probable ATP-dependent RNA helicase DDX41

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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