ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Palmitoyl-protein thioesterase 1

Intramolecular
Cysteine 152 and cysteine 160 L
Cysteine 96 and cysteine 128
Cysteine 45 and cysteine 46
A redox-regulated disulphide may form within Palmitoyl-protein thioesterase 1 between cysteines 152 and 160.

Details

Redox score ?
85
PDB code
1exw
Structure name
crystal structure of palmitoyl protein thioesterase 1 complexed with hexadecylsulfonyl fluoride
Structure deposition date
2000-05-04
Thiol separation (Å)
2
Half-sphere exposure sum ?
44
Minimum pKa ?
nan
% buried
nan
Peptide accession
P45478
Residue number A
152
Residue number B
160
Peptide name
Palmitoyl-protein thioesterase 1

Ligandability

Cysteine 152 of Palmitoyl-protein thioesterase 1

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 160 of Palmitoyl-protein thioesterase 1

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Palmitoyl-protein thioesterase 1 between cysteines 96 and 128.

Details

Redox score ?
84
PDB code
3gro
Structure name
human palmitoyl-protein thioesterase 1
Structure deposition date
2009-03-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
P50897
Residue number A
96
Residue number B
128
Peptide name
Palmitoyl-protein thioesterase 1

Ligandability

Cysteine 96 of Palmitoyl-protein thioesterase 1

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 128 of Palmitoyl-protein thioesterase 1

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 Palmitoyl-protein thioesterase 1 between cysteines 45 and 46.

Details

Redox score ?
80
PDB code
1eh5
Structure name
crystal structure of palmitoyl protein thioesterase 1 complexed with palmitate
Structure deposition date
2000-02-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
P45478
Residue number A
45
Residue number B
46
Peptide name
Palmitoyl-protein thioesterase 1

Ligandability

Cysteine 45 of Palmitoyl-protein thioesterase 1

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 46 of Palmitoyl-protein thioesterase 1

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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