ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Protein S100-A4

Intermolecular
Cysteine 86 and cysteine 76
Cysteine 76 and cysteine 76
Intramolecular
Cysteine 81 and cysteine 86
Cysteine 76 and cysteine 81
A redox-regulated disulphide may form between two units of Protein S100-A4 at cysteines 86 and 76. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
3cga
Structure name
crystal structure of metastasis-associated protein s100a4 in the active, calcium-bound form
Structure deposition date
2008-03-05
Thiol separation (Å)
10
Half-sphere exposure sum ?
57
Minimum pKa ?
10
% buried
52
Peptide A name
Protein S100-A4
Peptide B name
Protein S100-A4
Peptide A accession
P26447
Peptide B accession
P26447
Peptide A residue number
86
Peptide B residue number
76

Ligandability

Cysteine 86 of Protein S100-A4

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 76 of Protein S100-A4

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 Protein S100-A4 at cysteines 76 and 76. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
25
PDB code
4cfq
Structure name
ca-bound truncated (delta13c) and c3s, c81s and c86s mutated s100a4 complexed with non-muscle myosin iia
Structure deposition date
2013-11-19
Thiol separation (Å)
10
Half-sphere exposure sum ?
76
Minimum pKa ?
12
% buried
100
Peptide A name
Protein S100-A4
Peptide B name
Protein S100-A4
Peptide A accession
P26447
Peptide B accession
P26447
Peptide A residue number
76
Peptide B residue number
76

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.

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 Protein S100-A4 between cysteines 81 and 86. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
3ko0
Structure name
structure of the tfp-ca2+-bound activated form of the s100a4 metastasis factor
Structure deposition date
2009-11-12
Thiol separation (Å)
10
Half-sphere exposure sum ?
53
Minimum pKa ?
10
% buried
70
Peptide accession
P26447
Residue number A
81
Residue number B
86
Peptide name
Protein S100-A4

Ligandability

Cysteine 81 of Protein S100-A4

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 86 of Protein S100-A4

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 Protein S100-A4 between cysteines 76 and 81. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
2lnk
Structure name
solution structure of ca-bound s100a4 in complex with non-muscle myosin iia
Structure deposition date
2011-12-30
Thiol separation (Å)
8
Half-sphere exposure sum ?
101
Minimum pKa ?
14
% buried
100
Peptide accession
P26447
Residue number A
76
Residue number B
81
Peptide name
Protein S100-A4

Ligandability

Cysteine 76 of Protein S100-A4

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 81 of Protein S100-A4

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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