ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Cytoplasmic aconitate hydratase

Intramolecular
Cysteine 503 and cysteine 506
Cysteine 437 and cysteine 506
Cysteine 369 and cysteine 370
Cysteine 437 and cysteine 503
A redox-regulated disulphide may form within Cytoplasmic aconitate hydratase between cysteines 503 and 506. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
2b3y
Structure name
structure of a monoclinic crystal form of human cytosolic aconitase (irp1)
Structure deposition date
2005-09-22
Thiol separation (Å)
6
Half-sphere exposure sum ?
97
Minimum pKa ?
10
% buried
100
Peptide accession
P21399
Residue number A
503
Residue number B
506
Peptide name
Cytoplasmic aconitate hydratase

Ligandability

Cysteine 503 of Cytoplasmic aconitate hydratase

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 506 of Cytoplasmic aconitate hydratase

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 Cytoplasmic aconitate hydratase between cysteines 437 and 506. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
2b3y
Structure name
structure of a monoclinic crystal form of human cytosolic aconitase (irp1)
Structure deposition date
2005-09-22
Thiol separation (Å)
6
Half-sphere exposure sum ?
102
Minimum pKa ?
10
% buried
100
Peptide accession
P21399
Residue number A
437
Residue number B
506
Peptide name
Cytoplasmic aconitate hydratase

Ligandability

Cysteine 437 of Cytoplasmic aconitate hydratase

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 506 of Cytoplasmic aconitate hydratase

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 Cytoplasmic aconitate hydratase between cysteines 369 and 370. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
2b3y
Structure name
structure of a monoclinic crystal form of human cytosolic aconitase (irp1)
Structure deposition date
2005-09-22
Thiol separation (Å)
7
Half-sphere exposure sum ?
92
Minimum pKa ?
13
% buried
100
Peptide accession
P21399
Residue number A
369
Residue number B
370
Peptide name
Cytoplasmic aconitate hydratase

Ligandability

Cysteine 369 of Cytoplasmic aconitate hydratase

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 370 of Cytoplasmic aconitate hydratase

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 Cytoplasmic aconitate hydratase between cysteines 437 and 503. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
2b3y
Structure name
structure of a monoclinic crystal form of human cytosolic aconitase (irp1)
Structure deposition date
2005-09-22
Thiol separation (Å)
7
Half-sphere exposure sum ?
103
Minimum pKa ?
14
% buried
100
Peptide accession
P21399
Residue number A
437
Residue number B
503
Peptide name
Cytoplasmic aconitate hydratase

Ligandability

Cysteine 437 of Cytoplasmic aconitate hydratase

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 503 of Cytoplasmic aconitate hydratase

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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