ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Pyrroline-5-carboxylate reductase 1, mitochondrial

Intramolecular
Cysteine 95 and cysteine 120 L
Cysteine 95 and cysteine 159
Cysteine 120 and cysteine 159 L
A redox-regulated disulphide may form within Pyrroline-5-carboxylate reductase 1, mitochondrial between cysteines 95 and 120.

Details

Redox score ?
67
PDB code
5uau
Structure name
structure of human pycr-1 complexed with proline
Structure deposition date
2016-12-20
Thiol separation (Å)
4
Half-sphere exposure sum ?
85
Minimum pKa ?
9
% buried
100
Peptide accession
P32322
Residue number A
95
Residue number B
120
Peptide name
Pyrroline-5-carboxylate reductase 1, mitochondrial

Ligandability

Cysteine 95 of Pyrroline-5-carboxylate reductase 1, 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 120 of Pyrroline-5-carboxylate reductase 1, mitochondrial

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Ligandable in the dataset of Backus et al.

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 Pyrroline-5-carboxylate reductase 1, mitochondrial between cysteines 95 and 159. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
2gra
Structure name
crystal structure of human pyrroline-5-carboxylate reductase complexed with nadp
Structure deposition date
2006-04-23
Thiol separation (Å)
9
Half-sphere exposure sum ?
71
Minimum pKa ?
12
% buried
nan
Peptide accession
P32322
Residue number A
95
Residue number B
159
Peptide name
Pyrroline-5-carboxylate reductase 1, mitochondrial

Ligandability

Cysteine 95 of Pyrroline-5-carboxylate reductase 1, 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 159 of Pyrroline-5-carboxylate reductase 1, 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 Pyrroline-5-carboxylate reductase 1, mitochondrial between cysteines 120 and 159. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
2ger
Structure name
crystal structure and oxidative mechanism of human pyrroline-5- carboxylate reductase
Structure deposition date
2006-03-20
Thiol separation (Å)
9
Half-sphere exposure sum ?
76
Minimum pKa ?
12
% buried
nan
Peptide accession
P32322
Residue number A
120
Residue number B
159
Peptide name
Pyrroline-5-carboxylate reductase 1, mitochondrial

Ligandability

Cysteine 120 of Pyrroline-5-carboxylate reductase 1, mitochondrial

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Ligandable in the dataset of Backus et al.

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 159 of Pyrroline-5-carboxylate reductase 1, 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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