ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Cohesin subunit SA-1

Intramolecular
Cysteine 716 and cysteine 740
Cysteine 776 and cysteine 779
Cysteine 127 and cysteine 179
Cysteine 776 and cysteine 796
A redox-regulated disulphide may form within Cohesin subunit SA-1 between cysteines 716 and 740.

Details

Redox score ?
69
PDB code
5qsr
Structure name
pandda analysis group deposition -- crystal structure of human stag1 in complex with z136583524
Structure deposition date
2019-05-25
Thiol separation (Å)
4
Half-sphere exposure sum ?
83
Minimum pKa ?
8
% buried
100
Peptide accession
Q8WVM7
Residue number A
716
Residue number B
740
Peptide name
Cohesin subunit SA-1

Ligandability

Cysteine 716 of Cohesin subunit SA-1

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 740 of Cohesin subunit SA-1

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-1 between cysteines 776 and 779. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
5qss
Structure name
pandda analysis group deposition -- crystal structure of human stag1 in complex with z33452282
Structure deposition date
2019-05-25
Thiol separation (Å)
6
Half-sphere exposure sum ?
75
Minimum pKa ?
11
% buried
88
Peptide accession
Q8WVM7
Residue number A
776
Residue number B
779
Peptide name
Cohesin subunit SA-1

Ligandability

Cysteine 776 of Cohesin subunit SA-1

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 779 of Cohesin subunit SA-1

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-1 between cysteines 127 and 179. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
6qb5
Structure name
crystal structure of the n-terminal region of human cohesin subunit stag1
Structure deposition date
2018-12-20
Thiol separation (Å)
10
Half-sphere exposure sum ?
66
Minimum pKa ?
10
% buried
74
Peptide accession
Q8WVM7
Residue number A
127
Residue number B
179
Peptide name
Cohesin subunit SA-1

Ligandability

Cysteine 127 of Cohesin subunit SA-1

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 179 of Cohesin subunit SA-1

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-1 between cysteines 776 and 796. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
6wg3
Structure name
cryo-em structure of human cohesin-nipbl-dna complex
Structure deposition date
2020-04-04
Thiol separation (Å)
9
Half-sphere exposure sum ?
75
Minimum pKa ?
13
% buried
100
Peptide accession
Q8WVM7
Residue number A
776
Residue number B
796
Peptide name
Cohesin subunit SA-1

Ligandability

Cysteine 776 of Cohesin subunit SA-1

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 796 of Cohesin subunit SA-1

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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