ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Threonine aspartase 1

Intermolecular
Cysteine 293 and cysteine 163
Cysteine 271 and cysteine 271
Cysteine 271 and cysteine 163
Intramolecular
Cysteine 349 and cysteine 351
Cysteine 65 and cysteine 378
Cysteine 65 and cysteine 69
Cysteine 115 and cysteine 182
Cysteine 69 and cysteine 378
Cysteine 271 and cysteine 273
A redox-regulated disulphide may form between two units of Threonine aspartase 1 at cysteines 293 and 163. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
2a8m
Structure name
crystal structure of human taspase1 (t234s mutant)
Structure deposition date
2005-07-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
88
Minimum pKa ?
8
% buried
96
Peptide A name
Threonine aspartase 1
Peptide B name
Threonine aspartase 1
Peptide A accession
Q9H6P5
Peptide B accession
Q9H6P5
Peptide A residue number
293
Peptide B residue number
163

Ligandability

Cysteine 293 of Threonine aspartase 1

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 163 of Threonine aspartase 1

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 between two units of Threonine aspartase 1 at cysteines 271 and 271. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
2a8l
Structure name
crystal structure of human taspase1 (t234a mutant)
Structure deposition date
2005-07-08
Thiol separation (Å)
8
Half-sphere exposure sum ?
100
Minimum pKa ?
12
% buried
100
Peptide A name
Threonine aspartase 1
Peptide B name
Threonine aspartase 1
Peptide A accession
Q9H6P5
Peptide B accession
Q9H6P5
Peptide A residue number
271
Peptide B residue number
271

Ligandability

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 between two units of Threonine aspartase 1 at cysteines 271 and 163. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
2a8i
Structure name
crystal structure of human taspase1
Structure deposition date
2005-07-08
Thiol separation (Å)
9
Half-sphere exposure sum ?
90
Minimum pKa ?
12
% buried
100
Peptide A name
Threonine aspartase 1
Peptide B name
Threonine aspartase 1
Peptide A accession
Q9H6P5
Peptide B accession
Q9H6P5
Peptide A residue number
271
Peptide B residue number
163

Ligandability

Cysteine 271 of Threonine aspartase 1

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 163 of Threonine aspartase 1

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 aspartase 1 between cysteines 349 and 351.

Details

Redox score ?
78
PDB code
2a8m
Structure name
crystal structure of human taspase1 (t234s mutant)
Structure deposition date
2005-07-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
nan
Minimum pKa ?
9
% buried
12
Peptide accession
Q9H6P5
Residue number A
349
Residue number B
351
Peptide name
Threonine aspartase 1

Ligandability

Cysteine 349 of Threonine aspartase 1

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 351 of Threonine aspartase 1

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 aspartase 1 between cysteines 65 and 378.

Details

Redox score ?
66
PDB code
2a8l
Structure name
crystal structure of human taspase1 (t234a mutant)
Structure deposition date
2005-07-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
92
Minimum pKa ?
9
% buried
94
Peptide accession
Q9H6P5
Residue number A
65
Residue number B
378
Peptide name
Threonine aspartase 1

Ligandability

Cysteine 65 of Threonine aspartase 1

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 378 of Threonine aspartase 1

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 aspartase 1 between cysteines 65 and 69. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
2a8m
Structure name
crystal structure of human taspase1 (t234s mutant)
Structure deposition date
2005-07-08
Thiol separation (Å)
6
Half-sphere exposure sum ?
92
Minimum pKa ?
13
% buried
100
Peptide accession
Q9H6P5
Residue number A
65
Residue number B
69
Peptide name
Threonine aspartase 1

Ligandability

Cysteine 65 of Threonine aspartase 1

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 69 of Threonine aspartase 1

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 aspartase 1 between cysteines 115 and 182. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
2a8i
Structure name
crystal structure of human taspase1
Structure deposition date
2005-07-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
72
Minimum pKa ?
10
% buried
60
Peptide accession
Q9H6P5
Residue number A
115
Residue number B
182
Peptide name
Threonine aspartase 1

Ligandability

Cysteine 115 of Threonine aspartase 1

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 182 of Threonine aspartase 1

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 aspartase 1 between cysteines 69 and 378. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
2a8m
Structure name
crystal structure of human taspase1 (t234s mutant)
Structure deposition date
2005-07-08
Thiol separation (Å)
9
Half-sphere exposure sum ?
93
Minimum pKa ?
9
% buried
96
Peptide accession
Q9H6P5
Residue number A
69
Residue number B
378
Peptide name
Threonine aspartase 1

Ligandability

Cysteine 69 of Threonine aspartase 1

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 378 of Threonine aspartase 1

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 aspartase 1 between cysteines 271 and 273. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
24
PDB code
2a8l
Structure name
crystal structure of human taspase1 (t234a mutant)
Structure deposition date
2005-07-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
106
Minimum pKa ?
12
% buried
100
Peptide accession
Q9H6P5
Residue number A
271
Residue number B
273
Peptide name
Threonine aspartase 1

Ligandability

Cysteine 271 of Threonine aspartase 1

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 273 of Threonine aspartase 1

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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