ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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E3 ubiquitin-protein ligase PPP1R11

Intermolecular
Cysteine 273 of Serine/threonine-protein phosphatase PP1-alpha catalytic subunit and cysteine 61
Cysteine 273 of Serine/threonine-protein phosphatase PP1-alpha catalytic subunit and cysteine 60
Intramolecular
Cysteine 60 and cysteine 62
Cysteine 60 and cysteine 61
Cysteine 61 and cysteine 62
A redox-regulated disulphide may form between cysteine 273 of Serine/threonine-protein phosphatase PP1-alpha catalytic subunit and cysteine 61 of E3 ubiquitin-protein ligase PPP1R11.

Details

Redox score ?
78
PDB code
8dwl
Structure name
inhibitor-3:pp1 coexpressed complex
Structure deposition date
2022-08-01
Thiol separation (Å)
4
Half-sphere exposure sum ?
40
Minimum pKa ?
9
% buried
40
Peptide A name
Serine/threonine-protein phosphatase PP1-alpha catalytic subunit
Peptide B name
E3 ubiquitin-protein ligase PPP1R11
Peptide A accession
P62136
Peptide B accession
O60927
Peptide A residue number
273
Peptide B residue number
61

Ligandability

Cysteine 273 of Serine/threonine-protein phosphatase PP1-alpha catalytic subunit

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 61 of E3 ubiquitin-protein ligase PPP1R11

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 cysteine 273 of Serine/threonine-protein phosphatase PP1-alpha catalytic subunit and cysteine 60 of E3 ubiquitin-protein ligase PPP1R11. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
57
PDB code
8dwl
Structure name
inhibitor-3:pp1 coexpressed complex
Structure deposition date
2022-08-01
Thiol separation (Å)
7
Half-sphere exposure sum ?
46
Minimum pKa ?
8
% buried
60
Peptide A name
Serine/threonine-protein phosphatase PP1-alpha catalytic subunit
Peptide B name
E3 ubiquitin-protein ligase PPP1R11
Peptide A accession
P62136
Peptide B accession
O60927
Peptide A residue number
273
Peptide B residue number
60

Ligandability

Cysteine 273 of Serine/threonine-protein phosphatase PP1-alpha catalytic subunit

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 60 of E3 ubiquitin-protein ligase PPP1R11

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 E3 ubiquitin-protein ligase PPP1R11 between cysteines 60 and 62.

Details

Redox score ?
71
PDB code
8dwk
Structure name
inhibitor-3:pp1 reconstituted complex
Structure deposition date
2022-08-01
Thiol separation (Å)
6
Half-sphere exposure sum ?
nan
Minimum pKa ?
5
% buried
80
Peptide accession
O60927
Residue number A
60
Residue number B
62
Peptide name
E3 ubiquitin-protein ligase PPP1R11

Ligandability

Cysteine 60 of E3 ubiquitin-protein ligase PPP1R11

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 62 of E3 ubiquitin-protein ligase PPP1R11

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 E3 ubiquitin-protein ligase PPP1R11 between cysteines 60 and 61. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
59
PDB code
8dwk
Structure name
inhibitor-3:pp1 reconstituted complex
Structure deposition date
2022-08-01
Thiol separation (Å)
8
Half-sphere exposure sum ?
38
Minimum pKa ?
5
% buried
52
Peptide accession
O60927
Residue number A
60
Residue number B
61
Peptide name
E3 ubiquitin-protein ligase PPP1R11

Ligandability

Cysteine 60 of E3 ubiquitin-protein ligase PPP1R11

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 61 of E3 ubiquitin-protein ligase PPP1R11

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 E3 ubiquitin-protein ligase PPP1R11 between cysteines 61 and 62. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
8dwl
Structure name
inhibitor-3:pp1 coexpressed complex
Structure deposition date
2022-08-01
Thiol separation (Å)
8
Half-sphere exposure sum ?
nan
Minimum pKa ?
9
% buried
52
Peptide accession
O60927
Residue number A
61
Residue number B
62
Peptide name
E3 ubiquitin-protein ligase PPP1R11

Ligandability

Cysteine 61 of E3 ubiquitin-protein ligase PPP1R11

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 62 of E3 ubiquitin-protein ligase PPP1R11

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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