ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Alanine--tRNA ligase, cytoplasmic

Intramolecular
Cysteine 115 and cysteine 152
Cysteine 901 and cysteine 903 L
Cysteine 152 and cysteine 187 L
Cysteine 901 and cysteine 947
A redox-regulated disulphide may form within Alanine--tRNA ligase, cytoplasmic between cysteines 115 and 152.

Details

Redox score ?
64
PDB code
5knn
Structure name
evolutionary gain of alanine mischarging to non-cognate trnas with a g4:u69 base pair
Structure deposition date
2016-06-28
Thiol separation (Å)
5
Half-sphere exposure sum ?
80
Minimum pKa ?
9
% buried
100
Peptide accession
P49588
Residue number A
115
Residue number B
152
Peptide name
Alanine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 115 of Alanine--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 152 of Alanine--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 Alanine--tRNA ligase, cytoplasmic between cysteines 901 and 903 (145 and 147 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
5t76
Structure name
a fragment of a human trna synthetase
Structure deposition date
2016-09-02
Thiol separation (Å)
6
Half-sphere exposure sum ?
97
Minimum pKa ?
12
% buried
93
Peptide accession
P49588
Residue number A
901
Residue number B
903
Peptide name
Alanine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 901 of Alanine--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 903 of Alanine--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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Alanine--tRNA ligase, cytoplasmic between cysteines 152 and 187. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
5knn
Structure name
evolutionary gain of alanine mischarging to non-cognate trnas with a g4:u69 base pair
Structure deposition date
2016-06-28
Thiol separation (Å)
9
Half-sphere exposure sum ?
81
Minimum pKa ?
8
% buried
100
Peptide accession
P49588
Residue number A
152
Residue number B
187
Peptide name
Alanine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 152 of Alanine--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 187 of Alanine--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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Alanine--tRNA ligase, cytoplasmic between cysteines 901 and 947 (145 and 191 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
5t76
Structure name
a fragment of a human trna synthetase
Structure deposition date
2016-09-02
Thiol separation (Å)
9
Half-sphere exposure sum ?
75
Minimum pKa ?
10
% buried
59
Peptide accession
P49588
Residue number A
901
Residue number B
947
Peptide name
Alanine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 901 of Alanine--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 947 of Alanine--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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