ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Malonyl-CoA-acyl carrier protein transacylase, mitochondrial

Intramolecular
Cysteine 208 and cysteine 225
Cysteine 215 and cysteine 225
Cysteine 62 and cysteine 146
Cysteine 235 and cysteine 361
A redox-regulated disulphide may form within Malonyl-CoA-acyl carrier protein transacylase, mitochondrial between cysteines 208 and 225 (172 and 189 respectively in this structure).

Details

Redox score ?
71
PDB code
2c2n
Structure name
structure of human mitochondrial malonyltransferase
Structure deposition date
2005-09-29
Thiol separation (Å)
4
Half-sphere exposure sum ?
80
Minimum pKa ?
8
% buried
95
Peptide accession
Q8IVS2
Residue number A
208
Residue number B
225
Peptide name
Malonyl-CoA-acyl carrier protein transacylase, mitochondrial

Ligandability

Cysteine 208 of Malonyl-CoA-acyl carrier protein transacylase, mitochondrial

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 225 of Malonyl-CoA-acyl carrier protein transacylase, mitochondrial

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 Malonyl-CoA-acyl carrier protein transacylase, mitochondrial between cysteines 215 and 225 (179 and 189 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
2c2n
Structure name
structure of human mitochondrial malonyltransferase
Structure deposition date
2005-09-29
Thiol separation (Å)
7
Half-sphere exposure sum ?
70
Minimum pKa ?
11
% buried
67
Peptide accession
Q8IVS2
Residue number A
215
Residue number B
225
Peptide name
Malonyl-CoA-acyl carrier protein transacylase, mitochondrial

Ligandability

Cysteine 215 of Malonyl-CoA-acyl carrier protein transacylase, mitochondrial

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 225 of Malonyl-CoA-acyl carrier protein transacylase, mitochondrial

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 Malonyl-CoA-acyl carrier protein transacylase, mitochondrial between cysteines 62 and 146 (26 and 110 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
2c2n
Structure name
structure of human mitochondrial malonyltransferase
Structure deposition date
2005-09-29
Thiol separation (Å)
9
Half-sphere exposure sum ?
59
Minimum pKa ?
10
% buried
46
Peptide accession
Q8IVS2
Residue number A
62
Residue number B
146
Peptide name
Malonyl-CoA-acyl carrier protein transacylase, mitochondrial

Ligandability

Cysteine 62 of Malonyl-CoA-acyl carrier protein transacylase, mitochondrial

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 146 of Malonyl-CoA-acyl carrier protein transacylase, mitochondrial

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 Malonyl-CoA-acyl carrier protein transacylase, mitochondrial between cysteines 235 and 361 (199 and 325 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
2c2n
Structure name
structure of human mitochondrial malonyltransferase
Structure deposition date
2005-09-29
Thiol separation (Å)
9
Half-sphere exposure sum ?
60
Minimum pKa ?
12
% buried
70
Peptide accession
Q8IVS2
Residue number A
235
Residue number B
361
Peptide name
Malonyl-CoA-acyl carrier protein transacylase, mitochondrial

Ligandability

Cysteine 235 of Malonyl-CoA-acyl carrier protein transacylase, mitochondrial

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 361 of Malonyl-CoA-acyl carrier protein transacylase, mitochondrial

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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