ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Polyunsaturated fatty acid lipoxygenase ALOX12

Intramolecular
Cysteine 439 and cysteine 442
Cysteine 532 and cysteine 536
Cysteine 378 and cysteine 499
Cysteine 442 and cysteine 532
Cysteine 499 and cysteine 532
A redox-regulated disulphide may form within Polyunsaturated fatty acid lipoxygenase ALOX12 between cysteines 439 and 442. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
3d3l
Structure name
the 2
Structure deposition date
2008-05-12
Thiol separation (Å)
6
Half-sphere exposure sum ?
63
Minimum pKa ?
11
% buried
58
Peptide accession
P18054
Residue number A
439
Residue number B
442
Peptide name
Polyunsaturated fatty acid lipoxygenase ALOX12

Ligandability

Cysteine 439 of Polyunsaturated fatty acid lipoxygenase ALOX12

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 442 of Polyunsaturated fatty acid lipoxygenase ALOX12

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 Polyunsaturated fatty acid lipoxygenase ALOX12 between cysteines 532 and 536. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
3d3l
Structure name
the 2
Structure deposition date
2008-05-12
Thiol separation (Å)
7
Half-sphere exposure sum ?
91
Minimum pKa ?
12
% buried
100
Peptide accession
P18054
Residue number A
532
Residue number B
536
Peptide name
Polyunsaturated fatty acid lipoxygenase ALOX12

Ligandability

Cysteine 532 of Polyunsaturated fatty acid lipoxygenase ALOX12

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 536 of Polyunsaturated fatty acid lipoxygenase ALOX12

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 Polyunsaturated fatty acid lipoxygenase ALOX12 between cysteines 378 and 499. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
3d3l
Structure name
the 2
Structure deposition date
2008-05-12
Thiol separation (Å)
10
Half-sphere exposure sum ?
66
Minimum pKa ?
11
% buried
68
Peptide accession
P18054
Residue number A
378
Residue number B
499
Peptide name
Polyunsaturated fatty acid lipoxygenase ALOX12

Ligandability

Cysteine 378 of Polyunsaturated fatty acid lipoxygenase ALOX12

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 499 of Polyunsaturated fatty acid lipoxygenase ALOX12

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 Polyunsaturated fatty acid lipoxygenase ALOX12 between cysteines 442 and 532. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
3d3l
Structure name
the 2
Structure deposition date
2008-05-12
Thiol separation (Å)
9
Half-sphere exposure sum ?
84
Minimum pKa ?
14
% buried
95
Peptide accession
P18054
Residue number A
442
Residue number B
532
Peptide name
Polyunsaturated fatty acid lipoxygenase ALOX12

Ligandability

Cysteine 442 of Polyunsaturated fatty acid lipoxygenase ALOX12

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 532 of Polyunsaturated fatty acid lipoxygenase ALOX12

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 Polyunsaturated fatty acid lipoxygenase ALOX12 between cysteines 499 and 532. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
26
PDB code
3d3l
Structure name
the 2
Structure deposition date
2008-05-12
Thiol separation (Å)
9
Half-sphere exposure sum ?
85
Minimum pKa ?
13
% buried
95
Peptide accession
P18054
Residue number A
499
Residue number B
532
Peptide name
Polyunsaturated fatty acid lipoxygenase ALOX12

Ligandability

Cysteine 499 of Polyunsaturated fatty acid lipoxygenase ALOX12

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 532 of Polyunsaturated fatty acid lipoxygenase ALOX12

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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