ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Methionine--tRNA ligase, cytoplasmic

Intramolecular
Cysteine 389 and cysteine 438
Cysteine 405 and cysteine 418
Cysteine 392 and cysteine 438
Cysteine 405 and cysteine 421
Cysteine 435 and cysteine 438
Cysteine 405 and cysteine 408
Cysteine 389 and cysteine 392
Cysteine 418 and cysteine 421
Cysteine 408 and cysteine 418
Cysteine 389 and cysteine 435
More...
Cysteine 392 and cysteine 435
Cysteine 408 and cysteine 421
Cysteine 438 and cysteine 441 L
Cysteine 389 and cysteine 441 L
Cysteine 435 and cysteine 441 L
Cysteine 287 and cysteine 309 L
A redox-regulated disulphide may form within Methionine--tRNA ligase, cytoplasmic between cysteines 389 and 438.

Details

Redox score ?
92
PDB code
5gl7
Structure name
crystal structure of a truncated human cytosolic methionyl-trna synthetase
Structure deposition date
2016-07-08
Thiol separation (Å)
3
Half-sphere exposure sum ?
44
Minimum pKa ?
5
% buried
0
Peptide accession
P56192
Residue number A
389
Residue number B
438
Peptide name
Methionine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 389 of Methionine--tRNA ligase, cytoplasmic

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 438 of Methionine--tRNA ligase, cytoplasmic

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 Methionine--tRNA ligase, cytoplasmic between cysteines 405 and 418.

Details

Redox score ?
88
PDB code
5gl7
Structure name
crystal structure of a truncated human cytosolic methionyl-trna synthetase
Structure deposition date
2016-07-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
62
Minimum pKa ?
6
% buried
0
Peptide accession
P56192
Residue number A
405
Residue number B
418
Peptide name
Methionine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 405 of Methionine--tRNA ligase, cytoplasmic

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 418 of Methionine--tRNA ligase, cytoplasmic

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 Methionine--tRNA ligase, cytoplasmic between cysteines 392 and 438.

Details

Redox score ?
87
PDB code
5goy
Structure name
the crystal structure of human cytosolic methionyl-trna synthetase in complex with methionine
Structure deposition date
2016-07-30
Thiol separation (Å)
4
Half-sphere exposure sum ?
39
Minimum pKa ?
5
% buried
0
Peptide accession
P56192
Residue number A
392
Residue number B
438
Peptide name
Methionine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 392 of Methionine--tRNA ligase, cytoplasmic

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 438 of Methionine--tRNA ligase, cytoplasmic

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 Methionine--tRNA ligase, cytoplasmic between cysteines 405 and 421.

Details

Redox score ?
86
PDB code
5gl7
Structure name
crystal structure of a truncated human cytosolic methionyl-trna synthetase
Structure deposition date
2016-07-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
51
Minimum pKa ?
6
% buried
0
Peptide accession
P56192
Residue number A
405
Residue number B
421
Peptide name
Methionine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 405 of Methionine--tRNA ligase, cytoplasmic

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 421 of Methionine--tRNA ligase, cytoplasmic

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 Methionine--tRNA ligase, cytoplasmic between cysteines 435 and 438.

Details

Redox score ?
85
PDB code
5gl7
Structure name
crystal structure of a truncated human cytosolic methionyl-trna synthetase
Structure deposition date
2016-07-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
51
Minimum pKa ?
5
% buried
4
Peptide accession
P56192
Residue number A
435
Residue number B
438
Peptide name
Methionine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 435 of Methionine--tRNA ligase, cytoplasmic

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 438 of Methionine--tRNA ligase, cytoplasmic

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 Methionine--tRNA ligase, cytoplasmic between cysteines 405 and 408.

Details

Redox score ?
85
PDB code
5gl7
Structure name
crystal structure of a truncated human cytosolic methionyl-trna synthetase
Structure deposition date
2016-07-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
51
Minimum pKa ?
6
% buried
0
Peptide accession
P56192
Residue number A
405
Residue number B
408
Peptide name
Methionine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 405 of Methionine--tRNA ligase, cytoplasmic

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 408 of Methionine--tRNA ligase, cytoplasmic

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 Methionine--tRNA ligase, cytoplasmic between cysteines 389 and 392.

Details

Redox score ?
85
PDB code
5goy
Structure name
the crystal structure of human cytosolic methionyl-trna synthetase in complex with methionine
Structure deposition date
2016-07-30
Thiol separation (Å)
4
Half-sphere exposure sum ?
47
Minimum pKa ?
7
% buried
0
Peptide accession
P56192
Residue number A
389
Residue number B
392
Peptide name
Methionine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 389 of Methionine--tRNA ligase, cytoplasmic

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 392 of Methionine--tRNA ligase, cytoplasmic

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 Methionine--tRNA ligase, cytoplasmic between cysteines 418 and 421.

Details

Redox score ?
83
PDB code
5gl7
Structure name
crystal structure of a truncated human cytosolic methionyl-trna synthetase
Structure deposition date
2016-07-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
49
Minimum pKa ?
7
% buried
0
Peptide accession
P56192
Residue number A
418
Residue number B
421
Peptide name
Methionine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 418 of Methionine--tRNA ligase, cytoplasmic

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 421 of Methionine--tRNA ligase, cytoplasmic

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 Methionine--tRNA ligase, cytoplasmic between cysteines 408 and 418.

Details

Redox score ?
83
PDB code
5gl7
Structure name
crystal structure of a truncated human cytosolic methionyl-trna synthetase
Structure deposition date
2016-07-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
49
Minimum pKa ?
7
% buried
0
Peptide accession
P56192
Residue number A
408
Residue number B
418
Peptide name
Methionine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 408 of Methionine--tRNA ligase, cytoplasmic

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 418 of Methionine--tRNA ligase, cytoplasmic

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 Methionine--tRNA ligase, cytoplasmic between cysteines 389 and 435.

Details

Redox score ?
83
PDB code
5gl7
Structure name
crystal structure of a truncated human cytosolic methionyl-trna synthetase
Structure deposition date
2016-07-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
59
Minimum pKa ?
7
% buried
4
Peptide accession
P56192
Residue number A
389
Residue number B
435
Peptide name
Methionine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 389 of Methionine--tRNA ligase, cytoplasmic

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 435 of Methionine--tRNA ligase, cytoplasmic

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 Methionine--tRNA ligase, cytoplasmic between cysteines 392 and 435.

Details

Redox score ?
78
PDB code
5goy
Structure name
the crystal structure of human cytosolic methionyl-trna synthetase in complex with methionine
Structure deposition date
2016-07-30
Thiol separation (Å)
4
Half-sphere exposure sum ?
53
Minimum pKa ?
9
% buried
5
Peptide accession
P56192
Residue number A
392
Residue number B
435
Peptide name
Methionine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 392 of Methionine--tRNA ligase, cytoplasmic

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 435 of Methionine--tRNA ligase, cytoplasmic

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 Methionine--tRNA ligase, cytoplasmic between cysteines 408 and 421.

Details

Redox score ?
77
PDB code
5gl7
Structure name
crystal structure of a truncated human cytosolic methionyl-trna synthetase
Structure deposition date
2016-07-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
38
Minimum pKa ?
9
% buried
0
Peptide accession
P56192
Residue number A
408
Residue number B
421
Peptide name
Methionine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 408 of Methionine--tRNA ligase, cytoplasmic

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 421 of Methionine--tRNA ligase, cytoplasmic

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 Methionine--tRNA ligase, cytoplasmic between cysteines 438 and 441. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
5gl7
Structure name
crystal structure of a truncated human cytosolic methionyl-trna synthetase
Structure deposition date
2016-07-08
Thiol separation (Å)
9
Half-sphere exposure sum ?
44
Minimum pKa ?
5
% buried
0
Peptide accession
P56192
Residue number A
438
Residue number B
441
Peptide name
Methionine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 438 of Methionine--tRNA ligase, cytoplasmic

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 441 of Methionine--tRNA ligase, cytoplasmic

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 Methionine--tRNA ligase, cytoplasmic between cysteines 389 and 441. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
5goy
Structure name
the crystal structure of human cytosolic methionyl-trna synthetase in complex with methionine
Structure deposition date
2016-07-30
Thiol separation (Å)
9
Half-sphere exposure sum ?
53
Minimum pKa ?
7
% buried
0
Peptide accession
P56192
Residue number A
389
Residue number B
441
Peptide name
Methionine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 389 of Methionine--tRNA ligase, cytoplasmic

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 441 of Methionine--tRNA ligase, cytoplasmic

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 Methionine--tRNA ligase, cytoplasmic between cysteines 435 and 441. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
5gl7
Structure name
crystal structure of a truncated human cytosolic methionyl-trna synthetase
Structure deposition date
2016-07-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
59
Minimum pKa ?
9
% buried
4
Peptide accession
P56192
Residue number A
435
Residue number B
441
Peptide name
Methionine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 435 of Methionine--tRNA ligase, cytoplasmic

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 441 of Methionine--tRNA ligase, cytoplasmic

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 Methionine--tRNA ligase, cytoplasmic between cysteines 287 and 309. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
5gl7
Structure name
crystal structure of a truncated human cytosolic methionyl-trna synthetase
Structure deposition date
2016-07-08
Thiol separation (Å)
8
Half-sphere exposure sum ?
93
Minimum pKa ?
12
% buried
100
Peptide accession
P56192
Residue number A
287
Residue number B
309
Peptide name
Methionine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 287 of Methionine--tRNA ligase, cytoplasmic

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 309 of Methionine--tRNA ligase, cytoplasmic

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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