ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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mRNA-capping enzyme

Intramolecular
Cysteine 419 and cysteine 565 L
Cysteine 13 and cysteine 193
Cysteine 91 and cysteine 126
Cysteine 257 and cysteine 261 L
Cysteine 375 and cysteine 383
Cysteine 13 and cysteine 126
Cysteine 91 and cysteine 97 L
A redox-regulated disulphide may form within mRNA-capping enzyme between cysteines 419 and 565. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
59
PDB code
3s24
Structure name
crystal structure of human mrna guanylyltransferase
Structure deposition date
2011-05-16
Thiol separation (Å)
6
Half-sphere exposure sum ?
66
Minimum pKa ?
10
% buried
62
Peptide accession
O60942
Residue number A
419
Residue number B
565
Peptide name
mRNA-capping enzyme

Ligandability

Cysteine 419 of mRNA-capping enzyme

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.

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 565 of mRNA-capping enzyme

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 mRNA-capping enzyme between cysteines 13 and 193. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
2c46
Structure name
crystal structure of the human rna guanylyltransferase and 5'- phosphatase
Structure deposition date
2005-10-15
Thiol separation (Å)
8
Half-sphere exposure sum ?
58
Minimum pKa ?
11
% buried
70
Peptide accession
O60942
Residue number A
13
Residue number B
193
Peptide name
mRNA-capping enzyme

Ligandability

Cysteine 13 of mRNA-capping enzyme

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 193 of mRNA-capping enzyme

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 mRNA-capping enzyme between cysteines 91 and 126. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
1i9s
Structure name
crystal structure of the rna triphosphatase domain of mouse mrna capping enzyme
Structure deposition date
2001-03-20
Thiol separation (Å)
8
Half-sphere exposure sum ?
69
Minimum pKa ?
9
% buried
88
Peptide accession
O55236
Residue number A
91
Residue number B
126
Peptide name
mRNA-capping enzyme

Ligandability

Cysteine 91 of mRNA-capping enzyme

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 126 of mRNA-capping enzyme

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 mRNA-capping enzyme between cysteines 257 and 261. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
3s24
Structure name
crystal structure of human mrna guanylyltransferase
Structure deposition date
2011-05-16
Thiol separation (Å)
6
Half-sphere exposure sum ?
81
Minimum pKa ?
12
% buried
100
Peptide accession
O60942
Residue number A
257
Residue number B
261
Peptide name
mRNA-capping enzyme

Ligandability

Cysteine 257 of mRNA-capping enzyme

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 261 of mRNA-capping enzyme

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within mRNA-capping enzyme between cysteines 375 and 383. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
3s24
Structure name
crystal structure of human mrna guanylyltransferase
Structure deposition date
2011-05-16
Thiol separation (Å)
8
Half-sphere exposure sum ?
60
Minimum pKa ?
10
% buried
56
Peptide accession
O60942
Residue number A
375
Residue number B
383
Peptide name
mRNA-capping enzyme

Ligandability

Cysteine 375 of mRNA-capping enzyme

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 383 of mRNA-capping enzyme

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 mRNA-capping enzyme between cysteines 13 and 126. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
2c46
Structure name
crystal structure of the human rna guanylyltransferase and 5'- phosphatase
Structure deposition date
2005-10-15
Thiol separation (Å)
9
Half-sphere exposure sum ?
70
Minimum pKa ?
11
% buried
92
Peptide accession
O60942
Residue number A
13
Residue number B
126
Peptide name
mRNA-capping enzyme

Ligandability

Cysteine 13 of mRNA-capping enzyme

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 126 of mRNA-capping enzyme

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 mRNA-capping enzyme between cysteines 91 and 97. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
1i9t
Structure name
crystal structure of the oxidized rna triphosphatase domain of mouse mrna capping enzyme
Structure deposition date
2001-03-20
Thiol separation (Å)
10
Half-sphere exposure sum ?
62
Minimum pKa ?
11
% buried
60
Peptide accession
O55236
Residue number A
91
Residue number B
97
Peptide name
mRNA-capping enzyme

Ligandability

Cysteine 91 of mRNA-capping enzyme

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 97 of mRNA-capping enzyme

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.

Ligandable in the dataset of Kuljanin et al.

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