ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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3-oxoacyl-[acyl-carrier-protein] synthase, mitochondrial

Intramolecular
Cysteine 402 and cysteine 455
Cysteine 209 and cysteine 239
A redox-regulated disulphide may form within 3-oxoacyl-[acyl-carrier-protein] synthase, mitochondrial between cysteines 402 and 455. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
2iwz
Structure name
human mitochondrial beta-ketoacyl acp synthase complexed with hexanoic acid
Structure deposition date
2006-07-05
Thiol separation (Å)
8
Half-sphere exposure sum ?
90
Minimum pKa ?
13
% buried
100
Peptide accession
Q9NWU1
Residue number A
402
Residue number B
455
Peptide name
3-oxoacyl-[acyl-carrier-protein] synthase, mitochondrial

Ligandability

Cysteine 402 of 3-oxoacyl-[acyl-carrier-protein] synthase, 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 455 of 3-oxoacyl-[acyl-carrier-protein] synthase, 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 3-oxoacyl-[acyl-carrier-protein] synthase, mitochondrial between cysteines 209 and 239. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
23
PDB code
2iwz
Structure name
human mitochondrial beta-ketoacyl acp synthase complexed with hexanoic acid
Structure deposition date
2006-07-05
Thiol separation (Å)
9
Half-sphere exposure sum ?
91
Minimum pKa ?
14
% buried
100
Peptide accession
Q9NWU1
Residue number A
209
Residue number B
239
Peptide name
3-oxoacyl-[acyl-carrier-protein] synthase, mitochondrial

Ligandability

Cysteine 209 of 3-oxoacyl-[acyl-carrier-protein] synthase, 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 239 of 3-oxoacyl-[acyl-carrier-protein] synthase, 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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