ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Formylglycine-generating enzyme

Intermolecular
Cysteine 341 and cysteine 69 of Arylsulfatase A
Intramolecular
Cysteine 235 and cysteine 346
Cysteine 218 and cysteine 365
Cysteine 336 and cysteine 341
A redox-regulated disulphide may form between cysteine 341 of Formylglycine-generating enzyme and cysteine 69 of Arylsulfatase A.

Details

Redox score ?
90
PDB code
2aij
Structure name
formylglycine generating enzyme c336s mutant covalently bound to substrate peptide ctpsr
Structure deposition date
2005-07-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Formylglycine-generating enzyme
Peptide B name
Arylsulfatase A
Peptide A accession
Q8NBK3
Peptide B accession
P15289
Peptide A residue number
341
Peptide B residue number
69

Ligandability

Cysteine 341 of Formylglycine-generating enzyme

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 69 of Arylsulfatase A

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 Formylglycine-generating enzyme between cysteines 235 and 346.

Details

Redox score ?
80
PDB code
2afy
Structure name
formylglycine generating enzyme c341s mutant
Structure deposition date
2005-07-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
94
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8NBK3
Residue number A
235
Residue number B
346
Peptide name
Formylglycine-generating enzyme

Ligandability

Cysteine 235 of Formylglycine-generating enzyme

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 346 of Formylglycine-generating enzyme

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 Formylglycine-generating enzyme between cysteines 218 and 365.

Details

Redox score ?
79
PDB code
2hi8
Structure name
human formylglycine generating enzyme, c336s mutant, bromide co- crystallization
Structure deposition date
2006-06-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
85
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8NBK3
Residue number A
218
Residue number B
365
Peptide name
Formylglycine-generating enzyme

Ligandability

Cysteine 218 of Formylglycine-generating enzyme

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 365 of Formylglycine-generating enzyme

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 Formylglycine-generating enzyme between cysteines 336 and 341.

Details

Redox score ?
66
PDB code
2aii
Structure name
wild-type formylglycine generating enzyme reacted with iodoacetamide
Structure deposition date
2005-07-29
Thiol separation (Å)
5
Half-sphere exposure sum ?
58
Minimum pKa ?
9
% buried
90
Peptide accession
Q8NBK3
Residue number A
336
Residue number B
341
Peptide name
Formylglycine-generating enzyme

Ligandability

Cysteine 336 of Formylglycine-generating enzyme

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 341 of Formylglycine-generating enzyme

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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