ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Polyunsaturated fatty acid 5-lipoxygenase

Intermolecular
Cysteine 301 and cysteine 450
Intramolecular
Cysteine 417 and cysteine 419
Cysteine 160 and cysteine 417
A redox-regulated disulphide may form between two units of Polyunsaturated fatty acid 5-lipoxygenase at cysteines 301 and 450 (300 and 449 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
6ncf
Structure name
the structure of stable-5-lipoxygenase bound to akba
Structure deposition date
2018-12-11
Thiol separation (Å)
8
Half-sphere exposure sum ?
55
Minimum pKa ?
12
% buried
78
Peptide A name
Polyunsaturated fatty acid 5-lipoxygenase
Peptide B name
Polyunsaturated fatty acid 5-lipoxygenase
Peptide A accession
P09917
Peptide B accession
P09917
Peptide A residue number
301
Peptide B residue number
450

Ligandability

Cysteine 301 of Polyunsaturated fatty acid 5-lipoxygenase

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 450 of Polyunsaturated fatty acid 5-lipoxygenase

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 5-lipoxygenase between cysteines 417 and 419 (416 and 418 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
6ncf
Structure name
the structure of stable-5-lipoxygenase bound to akba
Structure deposition date
2018-12-11
Thiol separation (Å)
8
Half-sphere exposure sum ?
48
Minimum pKa ?
9
% buried
19
Peptide accession
P09917
Residue number A
417
Residue number B
419
Peptide name
Polyunsaturated fatty acid 5-lipoxygenase

Ligandability

Cysteine 417 of Polyunsaturated fatty acid 5-lipoxygenase

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 419 of Polyunsaturated fatty acid 5-lipoxygenase

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 5-lipoxygenase between cysteines 160 and 417 (159 and 416 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
6ncf
Structure name
the structure of stable-5-lipoxygenase bound to akba
Structure deposition date
2018-12-11
Thiol separation (Å)
9
Half-sphere exposure sum ?
49
Minimum pKa ?
10
% buried
42
Peptide accession
P09917
Residue number A
160
Residue number B
417
Peptide name
Polyunsaturated fatty acid 5-lipoxygenase

Ligandability

Cysteine 160 of Polyunsaturated fatty acid 5-lipoxygenase

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 417 of Polyunsaturated fatty acid 5-lipoxygenase

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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