ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Leucine--tRNA ligase, cytoplasmic

Intramolecular
Cysteine 248 and cysteine 522
Cysteine 1052 and cysteine 1053
Cysteine 83 and cysteine 84
Cysteine 863 and cysteine 867
A redox-regulated disulphide may form within Leucine--tRNA ligase, cytoplasmic between cysteines 248 and 522.

Details

Redox score ?
72
PDB code
6lpf
Structure name
the crystal structure of human cytoplasmic lrs
Structure deposition date
2020-01-10
Thiol separation (Å)
4
Half-sphere exposure sum ?
91
Minimum pKa ?
8
% buried
75
Peptide accession
Q9P2J5
Residue number A
248
Residue number B
522
Peptide name
Leucine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 248 of Leucine--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 522 of Leucine--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 Leucine--tRNA ligase, cytoplasmic between cysteines 1052 and 1053. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
6lr6
Structure name
the crystal structure of human cytoplasmic lrs
Structure deposition date
2020-01-15
Thiol separation (Å)
6
Half-sphere exposure sum ?
64
Minimum pKa ?
11
% buried
74
Peptide accession
Q9P2J5
Residue number A
1052
Residue number B
1053
Peptide name
Leucine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 1052 of Leucine--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 1053 of Leucine--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 Leucine--tRNA ligase, cytoplasmic between cysteines 83 and 84. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
6lpf
Structure name
the crystal structure of human cytoplasmic lrs
Structure deposition date
2020-01-10
Thiol separation (Å)
7
Half-sphere exposure sum ?
78
Minimum pKa ?
10
% buried
77
Peptide accession
Q9P2J5
Residue number A
83
Residue number B
84
Peptide name
Leucine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 83 of Leucine--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 84 of Leucine--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 Leucine--tRNA ligase, cytoplasmic between cysteines 863 and 867. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
6lpf
Structure name
the crystal structure of human cytoplasmic lrs
Structure deposition date
2020-01-10
Thiol separation (Å)
6
Half-sphere exposure sum ?
81
Minimum pKa ?
14
% buried
100
Peptide accession
Q9P2J5
Residue number A
863
Residue number B
867
Peptide name
Leucine--tRNA ligase, cytoplasmic

Ligandability

Cysteine 863 of Leucine--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 867 of Leucine--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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