ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Pyrroline-5-carboxylate reductase 2

Intermolecular
Cysteine 225 and cysteine 225
Intramolecular
Cysteine 95 and cysteine 120 L
Cysteine 120 and cysteine 159
Cysteine 225 and cysteine 232
A redox-regulated disulphide may form between two units of Pyrroline-5-carboxylate reductase 2 at cysteines 225 and 225.

Details

Redox score ?
81
PDB code
6lhm
Structure name
structure of human pycr2
Structure deposition date
2019-12-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
77
Minimum pKa ?
4
% buried
100
Peptide A name
Pyrroline-5-carboxylate reductase 2
Peptide B name
Pyrroline-5-carboxylate reductase 2
Peptide A accession
Q96C36
Peptide B accession
Q96C36
Peptide A residue number
225
Peptide B residue number
225

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 within Pyrroline-5-carboxylate reductase 2 between cysteines 95 and 120.

Details

Redox score ?
69
PDB code
6lhm
Structure name
structure of human pycr2
Structure deposition date
2019-12-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
84
Minimum pKa ?
9
% buried
100
Peptide accession
Q96C36
Residue number A
95
Residue number B
120
Peptide name
Pyrroline-5-carboxylate reductase 2

Ligandability

Cysteine 95 of Pyrroline-5-carboxylate reductase 2

Not ligandable in the dataset of Yang et al.

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 2

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 2 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 ?
43
PDB code
6lhm
Structure name
structure of human pycr2
Structure deposition date
2019-12-09
Thiol separation (Å)
8
Half-sphere exposure sum ?
76
Minimum pKa ?
12
% buried
80
Peptide accession
Q96C36
Residue number A
120
Residue number B
159
Peptide name
Pyrroline-5-carboxylate reductase 2

Ligandability

Cysteine 120 of Pyrroline-5-carboxylate reductase 2

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 2

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 2 between cysteines 225 and 232. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
6lhm
Structure name
structure of human pycr2
Structure deposition date
2019-12-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
69
Minimum pKa ?
11
% buried
80
Peptide accession
Q96C36
Residue number A
225
Residue number B
232
Peptide name
Pyrroline-5-carboxylate reductase 2

Ligandability

Cysteine 225 of Pyrroline-5-carboxylate reductase 2

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 232 of Pyrroline-5-carboxylate reductase 2

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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