ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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2-amino-3-carboxymuconate-6-semialdehyde decarboxylase

Intramolecular
Cysteine 132 and cysteine 169
Cysteine 204 and cysteine 247
Cysteine 93 and cysteine 132
A redox-regulated disulphide may form within 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase between cysteines 132 and 169. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
7pwy
Structure name
structure of human dimeric acmsd in complex with the inhibitor tes- 1025
Structure deposition date
2021-10-07
Thiol separation (Å)
8
Half-sphere exposure sum ?
74
Minimum pKa ?
12
% buried
90
Peptide accession
Q8TDX5
Residue number A
132
Residue number B
169
Peptide name
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase

Ligandability

Cysteine 132 of 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase

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 169 of 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase

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 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase between cysteines 204 and 247. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
4igm
Structure name
2
Structure deposition date
2012-12-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
80
Minimum pKa ?
12
% buried
81
Peptide accession
Q8TDX5
Residue number A
204
Residue number B
247
Peptide name
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase

Ligandability

Cysteine 204 of 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase

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 247 of 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase

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 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase between cysteines 93 and 132. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
4ih3
Structure name
2
Structure deposition date
2012-12-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
75
Minimum pKa ?
13
% buried
90
Peptide accession
Q8TDX5
Residue number A
93
Residue number B
132
Peptide name
2-amino-3-carboxymuconate-6-semialdehyde decarboxylase

Ligandability

Cysteine 93 of 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase

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 132 of 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase

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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