ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Fatty acid synthase

Intermolecular
Cysteine 856 and cysteine 856
Intramolecular
Cysteine 630 and cysteine 634
Cysteine 496 and cysteine 587
Cysteine 1317 and cysteine 1319
Cysteine 1143 and cysteine 1188
Cysteine 212 and cysteine 223
Cysteine 1459 and cysteine 2024
Cysteine 1129 and cysteine 1229
Cysteine 587 and cysteine 593
A redox-regulated disulphide may form between two units of Fatty acid synthase at cysteines 856 and 856.

Details

Redox score ?
82
PDB code
2vz8
Structure name
crystal structure of mammalian fatty acid synthase
Structure deposition date
2008-07-31
Thiol separation (Å)
3
Half-sphere exposure sum ?
72
Minimum pKa ?
7
% buried
78
Peptide A name
Fatty acid synthase
Peptide B name
Fatty acid synthase
Peptide A accession
A5YV76
Peptide B accession
A5YV76
Peptide A residue number
856
Peptide B residue number
856

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 Fatty acid synthase between cysteines 630 and 634.

Details

Redox score ?
78
PDB code
2vz8
Structure name
crystal structure of mammalian fatty acid synthase
Structure deposition date
2008-07-31
Thiol separation (Å)
5
Half-sphere exposure sum ?
56
Minimum pKa ?
7
% buried
52
Peptide accession
A5YV76
Residue number A
630
Residue number B
634
Peptide name
Fatty acid synthase

Ligandability

Cysteine 630 of Fatty acid synthase

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 634 of Fatty acid synthase

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 Fatty acid synthase between cysteines 496 and 587.

Details

Redox score ?
67
PDB code
2vz9
Structure name
crystal structure of mammalian fatty acid synthase in complex with nadp
Structure deposition date
2008-07-31
Thiol separation (Å)
4
Half-sphere exposure sum ?
96
Minimum pKa ?
9
% buried
100
Peptide accession
A5YV76
Residue number A
496
Residue number B
587
Peptide name
Fatty acid synthase

Ligandability

Cysteine 496 of Fatty acid synthase

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 587 of Fatty acid synthase

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 Fatty acid synthase between cysteines 1317 and 1319.

Details

Redox score ?
67
PDB code
2vz9
Structure name
crystal structure of mammalian fatty acid synthase in complex with nadp
Structure deposition date
2008-07-31
Thiol separation (Å)
4
Half-sphere exposure sum ?
81
Minimum pKa ?
7
% buried
100
Peptide accession
A5YV76
Residue number A
1317
Residue number B
1319
Peptide name
Fatty acid synthase

Ligandability

Cysteine 1317 of Fatty acid synthase

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 1319 of Fatty acid synthase

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 Fatty acid synthase between cysteines 1143 and 1188. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
57
PDB code
2vz9
Structure name
crystal structure of mammalian fatty acid synthase in complex with nadp
Structure deposition date
2008-07-31
Thiol separation (Å)
6
Half-sphere exposure sum ?
69
Minimum pKa ?
10
% buried
48
Peptide accession
A5YV76
Residue number A
1143
Residue number B
1188
Peptide name
Fatty acid synthase

Ligandability

Cysteine 1143 of Fatty acid synthase

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 1188 of Fatty acid synthase

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 Fatty acid synthase between cysteines 212 and 223. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
2vz9
Structure name
crystal structure of mammalian fatty acid synthase in complex with nadp
Structure deposition date
2008-07-31
Thiol separation (Å)
6
Half-sphere exposure sum ?
93
Minimum pKa ?
12
% buried
100
Peptide accession
A5YV76
Residue number A
212
Residue number B
223
Peptide name
Fatty acid synthase

Ligandability

Cysteine 212 of Fatty acid synthase

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 223 of Fatty acid synthase

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 Fatty acid synthase between cysteines 1459 and 2024. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
2vz8
Structure name
crystal structure of mammalian fatty acid synthase
Structure deposition date
2008-07-31
Thiol separation (Å)
7
Half-sphere exposure sum ?
79
Minimum pKa ?
11
% buried
88
Peptide accession
A5YV76
Residue number A
1459
Residue number B
2024
Peptide name
Fatty acid synthase

Ligandability

Cysteine 1459 of Fatty acid synthase

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 2024 of Fatty acid synthase

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 Fatty acid synthase between cysteines 1129 and 1229. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
2vz8
Structure name
crystal structure of mammalian fatty acid synthase
Structure deposition date
2008-07-31
Thiol separation (Å)
10
Half-sphere exposure sum ?
69
Minimum pKa ?
11
% buried
68
Peptide accession
A5YV76
Residue number A
1129
Residue number B
1229
Peptide name
Fatty acid synthase

Ligandability

Cysteine 1129 of Fatty acid synthase

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 1229 of Fatty acid synthase

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 Fatty acid synthase between cysteines 587 and 593. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
27
PDB code
2vz9
Structure name
crystal structure of mammalian fatty acid synthase in complex with nadp
Structure deposition date
2008-07-31
Thiol separation (Å)
10
Half-sphere exposure sum ?
82
Minimum pKa ?
13
% buried
85
Peptide accession
A5YV76
Residue number A
587
Residue number B
593
Peptide name
Fatty acid synthase

Ligandability

Cysteine 587 of Fatty acid synthase

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 593 of Fatty acid synthase

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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