ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Cohesin subunit SA-2

Intramolecular
Cysteine 769 and cysteine 772
Cysteine 711 and cysteine 736
Cysteine 124 and cysteine 176
Cysteine 792 and cysteine 869
Cysteine 772 and cysteine 792
A redox-regulated disulphide may form within Cohesin subunit SA-2 between cysteines 769 and 772. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
4pjw
Structure name
crystal structure of human stromal antigen 2 (sa2) in complex with sister chromatid cohesion protein 1 (scc1), with bound mes
Structure deposition date
2014-05-12
Thiol separation (Å)
6
Half-sphere exposure sum ?
74
Minimum pKa ?
12
% buried
100
Peptide accession
Q8N3U4
Residue number A
769
Residue number B
772
Peptide name
Cohesin subunit SA-2

Ligandability

Cysteine 769 of Cohesin subunit SA-2

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 772 of Cohesin subunit SA-2

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 Cohesin subunit SA-2 between cysteines 711 and 736. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
6qnx
Structure name
structure of the sa2/scc1/ctcf complex
Structure deposition date
2019-02-12
Thiol separation (Å)
9
Half-sphere exposure sum ?
77
Minimum pKa ?
10
% buried
80
Peptide accession
Q8N3U4
Residue number A
711
Residue number B
736
Peptide name
Cohesin subunit SA-2

Ligandability

Cysteine 711 of Cohesin subunit SA-2

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 736 of Cohesin subunit SA-2

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 Cohesin subunit SA-2 between cysteines 124 and 176. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
4pk7
Structure name
crystal structure of human stromal antigen 2 (sa2) in complex with sister chromatid cohesion protein 1 (scc1) with bound mes, native proteins
Structure deposition date
2014-05-13
Thiol separation (Å)
10
Half-sphere exposure sum ?
71
Minimum pKa ?
11
% buried
91
Peptide accession
Q8N3U4
Residue number A
124
Residue number B
176
Peptide name
Cohesin subunit SA-2

Ligandability

Cysteine 124 of Cohesin subunit SA-2

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 176 of Cohesin subunit SA-2

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 Cohesin subunit SA-2 between cysteines 792 and 869. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
26
PDB code
4pju
Structure name
crystal structure of human stromal antigen 2 (sa2) in complex with sister chromatid cohesion protein 1 (scc1)
Structure deposition date
2014-05-12
Thiol separation (Å)
10
Half-sphere exposure sum ?
89
Minimum pKa ?
12
% buried
100
Peptide accession
Q8N3U4
Residue number A
792
Residue number B
869
Peptide name
Cohesin subunit SA-2

Ligandability

Cysteine 792 of Cohesin subunit SA-2

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 869 of Cohesin subunit SA-2

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 Cohesin subunit SA-2 between cysteines 772 and 792. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
22
PDB code
4pju
Structure name
crystal structure of human stromal antigen 2 (sa2) in complex with sister chromatid cohesion protein 1 (scc1)
Structure deposition date
2014-05-12
Thiol separation (Å)
10
Half-sphere exposure sum ?
85
Minimum pKa ?
13
% buried
100
Peptide accession
Q8N3U4
Residue number A
772
Residue number B
792
Peptide name
Cohesin subunit SA-2

Ligandability

Cysteine 772 of Cohesin subunit SA-2

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 792 of Cohesin subunit SA-2

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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