ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial

Intramolecular
Cysteine 66 and cysteine 95
Cysteine 421 and cysteine 432 L
Cysteine 315 and cysteine 348
Cysteine 348 and cysteine 351
Cysteine 351 and cysteine 432 L
A redox-regulated disulphide may form within Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial between cysteines 66 and 95.

Details

Redox score ?
77
PDB code
3v9g
Structure name
crystal structure of human 1-pyrroline-5-carboxylate dehydrogenase
Structure deposition date
2011-12-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
73
Minimum pKa ?
6
% buried
64
Peptide accession
P30038
Residue number A
66
Residue number B
95
Peptide name
Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial

Ligandability

Cysteine 66 of Delta-1-pyrroline-5-carboxylate dehydrogenase, 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 95 of Delta-1-pyrroline-5-carboxylate dehydrogenase, 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 Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial between cysteines 421 and 432. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
4oe5
Structure name
structure of human aldh4a1 crystallized in space group p21
Structure deposition date
2014-01-11
Thiol separation (Å)
10
Half-sphere exposure sum ?
73
Minimum pKa ?
11
% buried
66
Peptide accession
P30038
Residue number A
421
Residue number B
432
Peptide name
Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial

Ligandability

Cysteine 421 of Delta-1-pyrroline-5-carboxylate dehydrogenase, 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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 432 of Delta-1-pyrroline-5-carboxylate dehydrogenase, 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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial between cysteines 315 and 348. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
4oe5
Structure name
structure of human aldh4a1 crystallized in space group p21
Structure deposition date
2014-01-11
Thiol separation (Å)
9
Half-sphere exposure sum ?
76
Minimum pKa ?
11
% buried
86
Peptide accession
P30038
Residue number A
315
Residue number B
348
Peptide name
Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial

Ligandability

Cysteine 315 of Delta-1-pyrroline-5-carboxylate dehydrogenase, 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 348 of Delta-1-pyrroline-5-carboxylate dehydrogenase, 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 Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial between cysteines 348 and 351. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
3v9i
Structure name
crystal structure of human 1-pyrroline-5-carboxylate dehydrogenase mutant s352l
Structure deposition date
2011-12-27
Thiol separation (Å)
10
Half-sphere exposure sum ?
82
Minimum pKa ?
11
% buried
84
Peptide accession
P30038
Residue number A
348
Residue number B
351
Peptide name
Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial

Ligandability

Cysteine 348 of Delta-1-pyrroline-5-carboxylate dehydrogenase, 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 351 of Delta-1-pyrroline-5-carboxylate dehydrogenase, 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 Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial between cysteines 351 and 432. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
3v9i
Structure name
crystal structure of human 1-pyrroline-5-carboxylate dehydrogenase mutant s352l
Structure deposition date
2011-12-27
Thiol separation (Å)
9
Half-sphere exposure sum ?
87
Minimum pKa ?
12
% buried
90
Peptide accession
P30038
Residue number A
351
Residue number B
432
Peptide name
Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial

Ligandability

Cysteine 351 of Delta-1-pyrroline-5-carboxylate dehydrogenase, 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 432 of Delta-1-pyrroline-5-carboxylate dehydrogenase, 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.

Ligandable in the dataset of Kuljanin et al.

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