ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Acidic mammalian chitinase

Intramolecular
Cysteine 49 and cysteine 394
Cysteine 307 and cysteine 372
Cysteine 26 and cysteine 51
Cysteine 49 and cysteine 51
A redox-regulated disulphide may form within Acidic mammalian chitinase between cysteines 49 and 394.

Details

Redox score ?
84
PDB code
3rme
Structure name
amcase in complex with compound 5
Structure deposition date
2011-04-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9BZP6
Residue number A
49
Residue number B
394
Peptide name
Acidic mammalian chitinase

Ligandability

Cysteine 49 of Acidic mammalian chitinase

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 394 of Acidic mammalian chitinase

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 Acidic mammalian chitinase between cysteines 307 and 372.

Details

Redox score ?
83
PDB code
3fy1
Structure name
the acidic mammalian chitinase catalytic domain in complex with methylallosamidin
Structure deposition date
2009-01-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9BZP6
Residue number A
307
Residue number B
372
Peptide name
Acidic mammalian chitinase

Ligandability

Cysteine 307 of Acidic mammalian chitinase

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 372 of Acidic mammalian chitinase

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 Acidic mammalian chitinase between cysteines 26 and 51.

Details

Redox score ?
78
PDB code
3rm9
Structure name
amcase in complex with compound 3
Structure deposition date
2011-04-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
92
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9BZP6
Residue number A
26
Residue number B
51
Peptide name
Acidic mammalian chitinase

Ligandability

Cysteine 26 of Acidic mammalian chitinase

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 51 of Acidic mammalian chitinase

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 Acidic mammalian chitinase between cysteines 49 and 51. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
3fxy
Structure name
acidic mammalian chinase, catalytic domain
Structure deposition date
2009-01-21
Thiol separation (Å)
10
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9BZP6
Residue number A
49
Residue number B
51
Peptide name
Acidic mammalian chitinase

Ligandability

Cysteine 49 of Acidic mammalian chitinase

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 51 of Acidic mammalian chitinase

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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