ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Alanine--tRNA ligase, mitochondrial

Intramolecular
Cysteine 925 and cysteine 947
Cysteine 925 and cysteine 927
Cysteine 927 and cysteine 947
Cysteine 904 and cysteine 927
A redox-regulated disulphide may form within Alanine--tRNA ligase, mitochondrial between cysteines 925 and 947.

Details

Redox score ?
70
PDB code
6nlq
Structure name
human mitochondrial alanyl-trna synthetase c-terminal domain
Structure deposition date
2019-01-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
95
Minimum pKa ?
8
% buried
82
Peptide accession
Q5JTZ9
Residue number A
925
Residue number B
947
Peptide name
Alanine--tRNA ligase, mitochondrial

Ligandability

Cysteine 925 of Alanine--tRNA ligase, mitochondrial

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, mitochondrial

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, mitochondrial between cysteines 925 and 927. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
6now
Structure name
human mitochondrial alanyl-trna synthetase c-ala domain
Structure deposition date
2019-01-16
Thiol separation (Å)
5
Half-sphere exposure sum ?
107
Minimum pKa ?
9
% buried
100
Peptide accession
Q5JTZ9
Residue number A
925
Residue number B
927
Peptide name
Alanine--tRNA ligase, mitochondrial

Ligandability

Cysteine 925 of Alanine--tRNA ligase, mitochondrial

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 927 of Alanine--tRNA ligase, mitochondrial

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, mitochondrial between cysteines 927 and 947. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
6now
Structure name
human mitochondrial alanyl-trna synthetase c-ala domain
Structure deposition date
2019-01-16
Thiol separation (Å)
8
Half-sphere exposure sum ?
96
Minimum pKa ?
9
% buried
100
Peptide accession
Q5JTZ9
Residue number A
927
Residue number B
947
Peptide name
Alanine--tRNA ligase, mitochondrial

Ligandability

Cysteine 927 of Alanine--tRNA ligase, mitochondrial

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, mitochondrial

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, mitochondrial between cysteines 904 and 927. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
6nlq
Structure name
human mitochondrial alanyl-trna synthetase c-terminal domain
Structure deposition date
2019-01-08
Thiol separation (Å)
9
Half-sphere exposure sum ?
85
Minimum pKa ?
11
% buried
71
Peptide accession
Q5JTZ9
Residue number A
904
Residue number B
927
Peptide name
Alanine--tRNA ligase, mitochondrial

Ligandability

Cysteine 904 of Alanine--tRNA ligase, mitochondrial

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 927 of Alanine--tRNA ligase, mitochondrial

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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