ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Pantothenate kinase 2, mitochondrial

Intermolecular
Cysteine 508 and cysteine 508
Intramolecular
Cysteine 423 and cysteine 428
Cysteine 312 and cysteine 334
Cysteine 422 and cysteine 428
Cysteine 422 and cysteine 423
Cysteine 334 and cysteine 341
Cysteine 312 and cysteine 341
A redox-regulated disulphide may form between two units of Pantothenate kinase 2, mitochondrial at cysteines 508 and 508. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
5e26
Structure name
crystal structure of human pank2: the catalytic core domain in complex with pantothenate and adenosine diphosphate
Structure deposition date
2015-09-30
Thiol separation (Å)
10
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide A name
Pantothenate kinase 2, mitochondrial
Peptide B name
Pantothenate kinase 2, mitochondrial
Peptide A accession
Q9BZ23
Peptide B accession
Q9BZ23
Peptide A residue number
508
Peptide B residue number
508

Ligandability

A redox-regulated disulphide may form within Pantothenate kinase 2, mitochondrial between cysteines 423 and 428.

Details

Redox score ?
72
PDB code
5e26
Structure name
crystal structure of human pank2: the catalytic core domain in complex with pantothenate and adenosine diphosphate
Structure deposition date
2015-09-30
Thiol separation (Å)
4
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9BZ23
Residue number A
423
Residue number B
428
Peptide name
Pantothenate kinase 2, mitochondrial

Ligandability

Cysteine 423 of Pantothenate kinase 2, mitochondrial

Cysteine 428 of Pantothenate kinase 2, mitochondrial

A redox-regulated disulphide may form within Pantothenate kinase 2, mitochondrial between cysteines 312 and 334.

Details

Redox score ?
67
PDB code
5e26
Structure name
crystal structure of human pank2: the catalytic core domain in complex with pantothenate and adenosine diphosphate
Structure deposition date
2015-09-30
Thiol separation (Å)
4
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9BZ23
Residue number A
312
Residue number B
334
Peptide name
Pantothenate kinase 2, mitochondrial

Ligandability

Cysteine 312 of Pantothenate kinase 2, mitochondrial

Cysteine 334 of Pantothenate kinase 2, mitochondrial

A redox-regulated disulphide may form within Pantothenate kinase 2, mitochondrial between cysteines 422 and 428.

Details

Redox score ?
66
PDB code
5e26
Structure name
crystal structure of human pank2: the catalytic core domain in complex with pantothenate and adenosine diphosphate
Structure deposition date
2015-09-30
Thiol separation (Å)
5
Half-sphere exposure sum ?
72
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9BZ23
Residue number A
422
Residue number B
428
Peptide name
Pantothenate kinase 2, mitochondrial

Ligandability

Cysteine 422 of Pantothenate kinase 2, mitochondrial

Cysteine 428 of Pantothenate kinase 2, mitochondrial

A redox-regulated disulphide may form within Pantothenate kinase 2, mitochondrial between cysteines 422 and 423. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
5e26
Structure name
crystal structure of human pank2: the catalytic core domain in complex with pantothenate and adenosine diphosphate
Structure deposition date
2015-09-30
Thiol separation (Å)
7
Half-sphere exposure sum ?
79
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9BZ23
Residue number A
422
Residue number B
423
Peptide name
Pantothenate kinase 2, mitochondrial

Ligandability

Cysteine 422 of Pantothenate kinase 2, mitochondrial

Cysteine 423 of Pantothenate kinase 2, mitochondrial

A redox-regulated disulphide may form within Pantothenate kinase 2, mitochondrial between cysteines 334 and 341. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
5e26
Structure name
crystal structure of human pank2: the catalytic core domain in complex with pantothenate and adenosine diphosphate
Structure deposition date
2015-09-30
Thiol separation (Å)
9
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9BZ23
Residue number A
334
Residue number B
341
Peptide name
Pantothenate kinase 2, mitochondrial

Ligandability

Cysteine 334 of Pantothenate kinase 2, mitochondrial

Cysteine 341 of Pantothenate kinase 2, mitochondrial

A redox-regulated disulphide may form within Pantothenate kinase 2, mitochondrial between cysteines 312 and 341. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
5e26
Structure name
crystal structure of human pank2: the catalytic core domain in complex with pantothenate and adenosine diphosphate
Structure deposition date
2015-09-30
Thiol separation (Å)
8
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9BZ23
Residue number A
312
Residue number B
341
Peptide name
Pantothenate kinase 2, mitochondrial

Ligandability

Cysteine 312 of Pantothenate kinase 2, mitochondrial

Cysteine 341 of Pantothenate kinase 2, mitochondrial

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