ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Alpha-ketoglutarate-dependent dioxygenase FTO

Intramolecular
Cysteine 104 and cysteine 326
Cysteine 77 and cysteine 392
Cysteine 456 and cysteine 472
Cysteine 77 and cysteine 136
Cysteine 136 and cysteine 392
A redox-regulated disulphide may form within Alpha-ketoglutarate-dependent dioxygenase FTO between cysteines 104 and 326.

Details

Redox score ?
81
PDB code
4cxx
Structure name
crystal structure of human fto in complex with acylhydrazine inhibitor 16
Structure deposition date
2014-04-09
Thiol separation (Å)
3
Half-sphere exposure sum ?
68
Minimum pKa ?
7
% buried
72
Peptide accession
Q9C0B1
Residue number A
104
Residue number B
326
Peptide name
Alpha-ketoglutarate-dependent dioxygenase FTO

Ligandability

Cysteine 104 of Alpha-ketoglutarate-dependent dioxygenase FTO

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 326 of Alpha-ketoglutarate-dependent dioxygenase FTO

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 Alpha-ketoglutarate-dependent dioxygenase FTO between cysteines 77 and 392.

Details

Redox score ?
80
PDB code
4ie4
Structure name
crystal structure of the human fat mass and obesity associated protein (fto) in complex with 5-carboxy-8-hydroxyquinoline (iox1)
Structure deposition date
2012-12-13
Thiol separation (Å)
3
Half-sphere exposure sum ?
73
Minimum pKa ?
8
% buried
73
Peptide accession
Q9C0B1
Residue number A
77
Residue number B
392
Peptide name
Alpha-ketoglutarate-dependent dioxygenase FTO

Ligandability

Cysteine 77 of Alpha-ketoglutarate-dependent dioxygenase FTO

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 392 of Alpha-ketoglutarate-dependent dioxygenase FTO

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 Alpha-ketoglutarate-dependent dioxygenase FTO between cysteines 456 and 472.

Details

Redox score ?
79
PDB code
6ak4
Structure name
crystal structure of human fto in complex with small-molecule inhibitors
Structure deposition date
2018-08-30
Thiol separation (Å)
4
Half-sphere exposure sum ?
62
Minimum pKa ?
7
% buried
64
Peptide accession
Q9C0B1
Residue number A
456
Residue number B
472
Peptide name
Alpha-ketoglutarate-dependent dioxygenase FTO

Ligandability

Cysteine 456 of Alpha-ketoglutarate-dependent dioxygenase FTO

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 472 of Alpha-ketoglutarate-dependent dioxygenase FTO

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 Alpha-ketoglutarate-dependent dioxygenase FTO between cysteines 77 and 136. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
7e8z
Structure name
crystal structure of the human fat mass and obesity associated protein (fto) in complex with ss81
Structure deposition date
2021-03-03
Thiol separation (Å)
8
Half-sphere exposure sum ?
80
Minimum pKa ?
7
% buried
78
Peptide accession
Q9C0B1
Residue number A
77
Residue number B
136
Peptide name
Alpha-ketoglutarate-dependent dioxygenase FTO

Ligandability

Cysteine 77 of Alpha-ketoglutarate-dependent dioxygenase FTO

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 136 of Alpha-ketoglutarate-dependent dioxygenase FTO

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 Alpha-ketoglutarate-dependent dioxygenase FTO between cysteines 136 and 392. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
5f8p
Structure name
a novel inhibitor of the obesity-related protein fto
Structure deposition date
2015-12-09
Thiol separation (Å)
8
Half-sphere exposure sum ?
76
Minimum pKa ?
12
% buried
nan
Peptide accession
Q9C0B1
Residue number A
136
Residue number B
392
Peptide name
Alpha-ketoglutarate-dependent dioxygenase FTO

Ligandability

Cysteine 136 of Alpha-ketoglutarate-dependent dioxygenase FTO

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 392 of Alpha-ketoglutarate-dependent dioxygenase FTO

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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