a tool for identifying drug-targetable redox-active disulphides

Cytosolic iron-sulfur assembly component 2A

Intermolecular

Cysteine 155 and cysteine 99

Cysteine 90 and cysteine 90 L

Intramolecular

Cysteine 90 and cysteine 99 L

Cysteine 99 and cysteine 107

A redox-regulated disulphide may form between two units of Cytosolic iron-sulfur assembly component 2A at cysteines 155 and 99.

Details

Redox score ?

75

PDB code

Structure name

crystal structure of domain-swapped fam96a minor dimer

Structure deposition date

2011-12-03

Thiol separation (Å)

4

Half-sphere exposure sum ?

71

Minimum pK_a ?

7

% buried

66

Peptide A name

Cytosolic iron-sulfur assembly component 2A

Peptide B name

Cytosolic iron-sulfur assembly component 2A

Peptide A accession

Peptide B accession

Peptide A residue number

155

Peptide B residue number

99

Ligandability

Cysteine 155 of Cytosolic iron-sulfur assembly component 2A

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 99 of Cytosolic iron-sulfur assembly component 2A

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 between two units of Cytosolic iron-sulfur assembly component 2A at cysteines 90 and 90.

Details

Redox score ?

72

PDB code

Structure name

crystal structure of domain-swapped fam96a minor dimer

Structure deposition date

2011-12-03

Thiol separation (Å)

4

Half-sphere exposure sum ?

74

Minimum pK_a ?

8

% buried

73

Peptide A name

Cytosolic iron-sulfur assembly component 2A

Peptide B name

Cytosolic iron-sulfur assembly component 2A

Peptide A accession

Peptide B accession

Peptide A residue number

90

Peptide B residue number

90

Ligandability

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.

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 Cytosolic iron-sulfur assembly component 2A between cysteines 90 and 99. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

50

PDB code

Structure name

crystal structure of domain-swapped fam96a major dimer

Structure deposition date

2011-12-03

Thiol separation (Å)

9

Half-sphere exposure sum ?

29

Minimum pK_a ?

9

% buried

0

Peptide accession

Residue number A

90

Residue number B

99

Peptide name

Cytosolic iron-sulfur assembly component 2A

Ligandability

Cysteine 90 of Cytosolic iron-sulfur assembly component 2A

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.

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 99 of Cytosolic iron-sulfur assembly component 2A

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 Cytosolic iron-sulfur assembly component 2A between cysteines 99 and 107. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

39

PDB code

Structure name

nmr structure note: solution structure of monomeric human fam96a

Structure deposition date

2013-02-25

Thiol separation (Å)

10

Half-sphere exposure sum ?

65

Minimum pK_a ?

9

% buried

54

Peptide accession

Residue number A

99

Residue number B

107

Peptide name

Cytosolic iron-sulfur assembly component 2A

Ligandability

Cysteine 99 of Cytosolic iron-sulfur assembly component 2A

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 107 of Cytosolic iron-sulfur assembly component 2A

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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