ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Threonine--tRNA ligase 1, cytoplasmic

Intramolecular
Cysteine 413 and cysteine 417
Cysteine 467 and cysteine 479
A redox-regulated disulphide may form within Threonine--tRNA ligase 1, cytoplasmic between cysteines 413 and 417 (446 and 450 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
4hwt
Structure name
crystal structure of human threonyl-trna synthetase bound to a novel inhibitor
Structure deposition date
2012-11-08
Thiol separation (Å)
7
Half-sphere exposure sum ?
84
Minimum pKa ?
8
% buried
100
Peptide accession
P26639
Residue number A
413
Residue number B
417
Peptide name
Threonine--tRNA ligase 1, cytoplasmic

Ligandability

Cysteine 413 of Threonine--tRNA ligase 1, 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 417 of Threonine--tRNA ligase 1, 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 Threonine--tRNA ligase 1, cytoplasmic between cysteines 467 and 479. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
4p3n
Structure name
structural basis for full-spectrum inhibition of threonyl-trna synthetase by borrelidin 1
Structure deposition date
2014-03-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
78
Minimum pKa ?
12
% buried
100
Peptide accession
P26639
Residue number A
467
Residue number B
479
Peptide name
Threonine--tRNA ligase 1, cytoplasmic

Ligandability

Cysteine 467 of Threonine--tRNA ligase 1, 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 479 of Threonine--tRNA ligase 1, 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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