ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Pantothenate kinase 3

Intramolecular
Cysteine 222 and cysteine 228
Cysteine 112 and cysteine 141
A redox-regulated disulphide may form within Pantothenate kinase 3 between cysteines 222 and 228.

Details

Redox score ?
78
PDB code
5kq8
Structure name
pank3-amppn complex
Structure deposition date
2016-07-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
59
Minimum pKa ?
9
% buried
40
Peptide accession
Q9H999
Residue number A
222
Residue number B
228
Peptide name
Pantothenate kinase 3

Ligandability

Cysteine 222 of Pantothenate kinase 3

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 228 of Pantothenate kinase 3

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 Pantothenate kinase 3 between cysteines 112 and 141. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
2i7p
Structure name
crystal structure of human pank3 in complex with accoa
Structure deposition date
2006-08-31
Thiol separation (Å)
10
Half-sphere exposure sum ?
68
Minimum pKa ?
10
% buried
60
Peptide accession
Q9H999
Residue number A
112
Residue number B
141
Peptide name
Pantothenate kinase 3

Ligandability

Cysteine 112 of Pantothenate kinase 3

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 141 of Pantothenate kinase 3

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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