ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Integrator complex subunit 1

Intramolecular
Cysteine 2098 and cysteine 2099 L
Cysteine 1768 and cysteine 1769
Cysteine 1769 and cysteine 1770
Cysteine 1676 and cysteine 1701
Cysteine 1768 and cysteine 1770
A redox-regulated disulphide may form within Integrator complex subunit 1 between cysteines 2098 and 2099.

Details

Redox score ?
75
PDB code
7cun
Structure name
the structure of human integrator-pp2a complex
Structure deposition date
2020-08-23
Thiol separation (Å)
4
Half-sphere exposure sum ?
64
Minimum pKa ?
7
% buried
66
Peptide accession
Q8N201
Residue number A
2098
Residue number B
2099
Peptide name
Integrator complex subunit 1

Ligandability

Cysteine 2098 of Integrator complex subunit 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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 2099 of Integrator complex subunit 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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Integrator complex subunit 1 between cysteines 1768 and 1769.

Details

Redox score ?
63
PDB code
7cun
Structure name
the structure of human integrator-pp2a complex
Structure deposition date
2020-08-23
Thiol separation (Å)
5
Half-sphere exposure sum ?
63
Minimum pKa ?
10
% buried
72
Peptide accession
Q8N201
Residue number A
1768
Residue number B
1769
Peptide name
Integrator complex subunit 1

Ligandability

Cysteine 1768 of Integrator complex subunit 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 1769 of Integrator complex subunit 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 Integrator complex subunit 1 between cysteines 1769 and 1770. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
7cun
Structure name
the structure of human integrator-pp2a complex
Structure deposition date
2020-08-23
Thiol separation (Å)
7
Half-sphere exposure sum ?
57
Minimum pKa ?
10
% buried
40
Peptide accession
Q8N201
Residue number A
1769
Residue number B
1770
Peptide name
Integrator complex subunit 1

Ligandability

Cysteine 1769 of Integrator complex subunit 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 1770 of Integrator complex subunit 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 Integrator complex subunit 1 between cysteines 1676 and 1701. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
7cun
Structure name
the structure of human integrator-pp2a complex
Structure deposition date
2020-08-23
Thiol separation (Å)
8
Half-sphere exposure sum ?
68
Minimum pKa ?
11
% buried
88
Peptide accession
Q8N201
Residue number A
1676
Residue number B
1701
Peptide name
Integrator complex subunit 1

Ligandability

Cysteine 1676 of Integrator complex subunit 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 1701 of Integrator complex subunit 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 Integrator complex subunit 1 between cysteines 1768 and 1770. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
7cun
Structure name
the structure of human integrator-pp2a complex
Structure deposition date
2020-08-23
Thiol separation (Å)
10
Half-sphere exposure sum ?
57
Minimum pKa ?
10
% buried
52
Peptide accession
Q8N201
Residue number A
1768
Residue number B
1770
Peptide name
Integrator complex subunit 1

Ligandability

Cysteine 1768 of Integrator complex subunit 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 1770 of Integrator complex subunit 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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