ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Protein S100-A3

Intermolecular
Cysteine 83 and cysteine 23
Cysteine 23 and cysteine 86
Cysteine 23 and cysteine 14
Intramolecular
Cysteine 81 and cysteine 99
Cysteine 93 and cysteine 99
Cysteine 30 and cysteine 68 L
Cysteine 23 and cysteine 30
Cysteine 23 and cysteine 68 L
Cysteine 83 and cysteine 86
Cysteine 83 and cysteine 99
Cysteine 81 and cysteine 83
A redox-regulated disulphide may form between two units of Protein S100-A3 at cysteines 83 and 23. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
3nsl
Structure name
crystal structure of s100a3 c30a+c68a double mutant expressed in insect cell
Structure deposition date
2010-07-02
Thiol separation (Å)
7
Half-sphere exposure sum ?
80
Minimum pKa ?
13
% buried
100
Peptide A name
Protein S100-A3
Peptide B name
Protein S100-A3
Peptide A accession
P33764
Peptide B accession
P33764
Peptide A residue number
83
Peptide B residue number
23

Ligandability

Cysteine 83 of Protein S100-A3

Cysteine 23 of Protein S100-A3

A redox-regulated disulphide may form between two units of Protein S100-A3 at cysteines 23 and 86. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
3nsl
Structure name
crystal structure of s100a3 c30a+c68a double mutant expressed in insect cell
Structure deposition date
2010-07-02
Thiol separation (Å)
9
Half-sphere exposure sum ?
79
Minimum pKa ?
12
% buried
89
Peptide A name
Protein S100-A3
Peptide B name
Protein S100-A3
Peptide A accession
P33764
Peptide B accession
P33764
Peptide A residue number
23
Peptide B residue number
86

Ligandability

Cysteine 23 of Protein S100-A3

Cysteine 86 of Protein S100-A3

A redox-regulated disulphide may form between two units of Protein S100-A3 at cysteines 23 and 14. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
3nsl
Structure name
crystal structure of s100a3 c30a+c68a double mutant expressed in insect cell
Structure deposition date
2010-07-02
Thiol separation (Å)
10
Half-sphere exposure sum ?
70
Minimum pKa ?
11
% buried
92
Peptide A name
Protein S100-A3
Peptide B name
Protein S100-A3
Peptide A accession
P33764
Peptide B accession
P33764
Peptide A residue number
23
Peptide B residue number
14

Ligandability

Cysteine 23 of Protein S100-A3

Cysteine 14 of Protein S100-A3

A redox-regulated disulphide may form within Protein S100-A3 between cysteines 81 and 99.

Details

Redox score ?
86
PDB code
3nsi
Structure name
crystal structure of the post-refolded s100a3 protein expressed in insect cell
Structure deposition date
2010-07-01
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
P33764
Residue number A
81
Residue number B
99
Peptide name
Protein S100-A3

Ligandability

Cysteine 81 of Protein S100-A3

Cysteine 99 of Protein S100-A3

A redox-regulated disulphide may form within Protein S100-A3 between cysteines 93 and 99. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
3nsi
Structure name
crystal structure of the post-refolded s100a3 protein expressed in insect cell
Structure deposition date
2010-07-01
Thiol separation (Å)
10
Half-sphere exposure sum ?
nan
Minimum pKa ?
10
% buried
nan
Peptide accession
P33764
Residue number A
93
Residue number B
99
Peptide name
Protein S100-A3

Ligandability

Cysteine 93 of Protein S100-A3

Cysteine 99 of Protein S100-A3

A redox-regulated disulphide may form within Protein S100-A3 between cysteines 30 and 68. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
1kso
Structure name
crystal structure of apo s100a3
Structure deposition date
2002-01-14
Thiol separation (Å)
9
Half-sphere exposure sum ?
51
Minimum pKa ?
9
% buried
8
Peptide accession
P33764
Residue number A
30
Residue number B
68
Peptide name
Protein S100-A3

Ligandability

Cysteine 30 of Protein S100-A3

Cysteine 68 of Protein S100-A3

A redox-regulated disulphide may form within Protein S100-A3 between cysteines 23 and 30. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
1kso
Structure name
crystal structure of apo s100a3
Structure deposition date
2002-01-14
Thiol separation (Å)
9
Half-sphere exposure sum ?
45
Minimum pKa ?
9
% buried
7
Peptide accession
P33764
Residue number A
23
Residue number B
30
Peptide name
Protein S100-A3

Ligandability

Cysteine 23 of Protein S100-A3

Cysteine 30 of Protein S100-A3

A redox-regulated disulphide may form within Protein S100-A3 between cysteines 23 and 68. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
3nsi
Structure name
crystal structure of the post-refolded s100a3 protein expressed in insect cell
Structure deposition date
2010-07-01
Thiol separation (Å)
9
Half-sphere exposure sum ?
37
Minimum pKa ?
9
% buried
nan
Peptide accession
P33764
Residue number A
23
Residue number B
68
Peptide name
Protein S100-A3

Ligandability

Cysteine 23 of Protein S100-A3

Cysteine 68 of Protein S100-A3

A redox-regulated disulphide may form within Protein S100-A3 between cysteines 83 and 86. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
3nso
Structure name
crystal structure of s100a3 protein expressed in insect cell
Structure deposition date
2010-07-02
Thiol separation (Å)
8
Half-sphere exposure sum ?
71
Minimum pKa ?
12
% buried
78
Peptide accession
P33764
Residue number A
83
Residue number B
86
Peptide name
Protein S100-A3

Ligandability

Cysteine 83 of Protein S100-A3

Cysteine 86 of Protein S100-A3

A redox-regulated disulphide may form within Protein S100-A3 between cysteines 83 and 99. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
3nsi
Structure name
crystal structure of the post-refolded s100a3 protein expressed in insect cell
Structure deposition date
2010-07-01
Thiol separation (Å)
10
Half-sphere exposure sum ?
nan
Minimum pKa ?
13
% buried
nan
Peptide accession
P33764
Residue number A
83
Residue number B
99
Peptide name
Protein S100-A3

Ligandability

Cysteine 83 of Protein S100-A3

Cysteine 99 of Protein S100-A3

A redox-regulated disulphide may form within Protein S100-A3 between cysteines 81 and 83. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
3nsi
Structure name
crystal structure of the post-refolded s100a3 protein expressed in insect cell
Structure deposition date
2010-07-01
Thiol separation (Å)
9
Half-sphere exposure sum ?
76
Minimum pKa ?
13
% buried
nan
Peptide accession
P33764
Residue number A
81
Residue number B
83
Peptide name
Protein S100-A3

Ligandability

Cysteine 81 of Protein S100-A3

Cysteine 83 of Protein S100-A3

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