ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Isopentenyl-diphosphate Delta-isomerase 1

Intramolecular
Cysteine 21 and cysteine 39
Cysteine 85 and cysteine 86
A redox-regulated disulphide may form within Isopentenyl-diphosphate Delta-isomerase 1 between cysteines 21 and 39.

Details

Redox score ?
70
PDB code
2dho
Structure name
crystal structure of human ipp isomerase i in space group p212121
Structure deposition date
2006-03-24
Thiol separation (Å)
4
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
40
Peptide accession
Q13907
Residue number A
21
Residue number B
39
Peptide name
Isopentenyl-diphosphate Delta-isomerase 1

Ligandability

Cysteine 21 of Isopentenyl-diphosphate Delta-isomerase 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 39 of Isopentenyl-diphosphate Delta-isomerase 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 Isopentenyl-diphosphate Delta-isomerase 1 between cysteines 85 and 86 (86 and 87 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
2ick
Structure name
human isopentenyl diphophate isomerase complexed with substrate analog
Structure deposition date
2006-09-12
Thiol separation (Å)
6
Half-sphere exposure sum ?
88
Minimum pKa ?
15
% buried
100
Peptide accession
Q86U81
Residue number A
85
Residue number B
86
Peptide name
Isopentenyl-diphosphate Delta-isomerase 1

Ligandability

Cysteine 85 of Isopentenyl-diphosphate Delta-isomerase 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 86 of Isopentenyl-diphosphate Delta-isomerase 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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