ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Nonsense-mediated mRNA decay factor SMG8

Intramolecular
Cysteine 611 and cysteine 641
Cysteine 611 and cysteine 613
Cysteine 611 and cysteine 642
Cysteine 566 and cysteine 576
Cysteine 934 and cysteine 967
Cysteine 613 and cysteine 641
Cysteine 613 and cysteine 642
Cysteine 641 and cysteine 642
Cysteine 157 and cysteine 197
Cysteine 48 and cysteine 261
More...
Cysteine 48 and cysteine 207
Cysteine 207 and cysteine 261
A redox-regulated disulphide may form within Nonsense-mediated mRNA decay factor SMG8 between cysteines 611 and 641.

Details

Redox score ?
90
PDB code
7pw5
Structure name
human smg1-8-9 kinase complex with alphafold predicted smg8 c- terminus, bound to a smg1 inhibitor
Structure deposition date
2021-10-06
Thiol separation (Å)
4
Half-sphere exposure sum ?
63
Minimum pKa ?
1
% buried
51
Peptide accession
Q8ND04
Residue number A
611
Residue number B
641
Peptide name
Nonsense-mediated mRNA decay factor SMG8

Ligandability

Cysteine 611 of Nonsense-mediated mRNA decay factor SMG8

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 641 of Nonsense-mediated mRNA decay factor SMG8

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 Nonsense-mediated mRNA decay factor SMG8 between cysteines 611 and 613.

Details

Redox score ?
86
PDB code
7pw5
Structure name
human smg1-8-9 kinase complex with alphafold predicted smg8 c- terminus, bound to a smg1 inhibitor
Structure deposition date
2021-10-06
Thiol separation (Å)
3
Half-sphere exposure sum ?
84
Minimum pKa ?
1
% buried
70
Peptide accession
Q8ND04
Residue number A
611
Residue number B
613
Peptide name
Nonsense-mediated mRNA decay factor SMG8

Ligandability

Cysteine 611 of Nonsense-mediated mRNA decay factor SMG8

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 613 of Nonsense-mediated mRNA decay factor SMG8

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 Nonsense-mediated mRNA decay factor SMG8 between cysteines 611 and 642.

Details

Redox score ?
86
PDB code
7pw5
Structure name
human smg1-8-9 kinase complex with alphafold predicted smg8 c- terminus, bound to a smg1 inhibitor
Structure deposition date
2021-10-06
Thiol separation (Å)
4
Half-sphere exposure sum ?
69
Minimum pKa ?
1
% buried
66
Peptide accession
Q8ND04
Residue number A
611
Residue number B
642
Peptide name
Nonsense-mediated mRNA decay factor SMG8

Ligandability

Cysteine 611 of Nonsense-mediated mRNA decay factor SMG8

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 642 of Nonsense-mediated mRNA decay factor SMG8

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 Nonsense-mediated mRNA decay factor SMG8 between cysteines 566 and 576.

Details

Redox score ?
80
PDB code
7pw5
Structure name
human smg1-8-9 kinase complex with alphafold predicted smg8 c- terminus, bound to a smg1 inhibitor
Structure deposition date
2021-10-06
Thiol separation (Å)
4
Half-sphere exposure sum ?
55
Minimum pKa ?
8
% buried
20
Peptide accession
Q8ND04
Residue number A
566
Residue number B
576
Peptide name
Nonsense-mediated mRNA decay factor SMG8

Ligandability

Cysteine 566 of Nonsense-mediated mRNA decay factor SMG8

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 576 of Nonsense-mediated mRNA decay factor SMG8

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 Nonsense-mediated mRNA decay factor SMG8 between cysteines 934 and 967.

Details

Redox score ?
78
PDB code
7pw5
Structure name
human smg1-8-9 kinase complex with alphafold predicted smg8 c- terminus, bound to a smg1 inhibitor
Structure deposition date
2021-10-06
Thiol separation (Å)
4
Half-sphere exposure sum ?
60
Minimum pKa ?
7
% buried
58
Peptide accession
Q8ND04
Residue number A
934
Residue number B
967
Peptide name
Nonsense-mediated mRNA decay factor SMG8

Ligandability

Cysteine 934 of Nonsense-mediated mRNA decay factor SMG8

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 967 of Nonsense-mediated mRNA decay factor SMG8

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 Nonsense-mediated mRNA decay factor SMG8 between cysteines 613 and 641.

Details

Redox score ?
70
PDB code
7pw5
Structure name
human smg1-8-9 kinase complex with alphafold predicted smg8 c- terminus, bound to a smg1 inhibitor
Structure deposition date
2021-10-06
Thiol separation (Å)
4
Half-sphere exposure sum ?
65
Minimum pKa ?
10
% buried
49
Peptide accession
Q8ND04
Residue number A
613
Residue number B
641
Peptide name
Nonsense-mediated mRNA decay factor SMG8

Ligandability

Cysteine 613 of Nonsense-mediated mRNA decay factor SMG8

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 641 of Nonsense-mediated mRNA decay factor SMG8

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 Nonsense-mediated mRNA decay factor SMG8 between cysteines 613 and 642.

Details

Redox score ?
66
PDB code
7pw5
Structure name
human smg1-8-9 kinase complex with alphafold predicted smg8 c- terminus, bound to a smg1 inhibitor
Structure deposition date
2021-10-06
Thiol separation (Å)
4
Half-sphere exposure sum ?
71
Minimum pKa ?
10
% buried
64
Peptide accession
Q8ND04
Residue number A
613
Residue number B
642
Peptide name
Nonsense-mediated mRNA decay factor SMG8

Ligandability

Cysteine 613 of Nonsense-mediated mRNA decay factor SMG8

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 642 of Nonsense-mediated mRNA decay factor SMG8

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 Nonsense-mediated mRNA decay factor SMG8 between cysteines 641 and 642.

Details

Redox score ?
64
PDB code
7pw5
Structure name
human smg1-8-9 kinase complex with alphafold predicted smg8 c- terminus, bound to a smg1 inhibitor
Structure deposition date
2021-10-06
Thiol separation (Å)
5
Half-sphere exposure sum ?
50
Minimum pKa ?
12
% buried
44
Peptide accession
Q8ND04
Residue number A
641
Residue number B
642
Peptide name
Nonsense-mediated mRNA decay factor SMG8

Ligandability

Cysteine 641 of Nonsense-mediated mRNA decay factor SMG8

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 642 of Nonsense-mediated mRNA decay factor SMG8

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 Nonsense-mediated mRNA decay factor SMG8 between cysteines 157 and 197. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
6l54
Structure name
structure of smg189
Structure deposition date
2019-10-22
Thiol separation (Å)
8
Half-sphere exposure sum ?
86
Minimum pKa ?
11
% buried
100
Peptide accession
Q8ND04
Residue number A
157
Residue number B
197
Peptide name
Nonsense-mediated mRNA decay factor SMG8

Ligandability

Cysteine 157 of Nonsense-mediated mRNA decay factor SMG8

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 197 of Nonsense-mediated mRNA decay factor SMG8

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 Nonsense-mediated mRNA decay factor SMG8 between cysteines 48 and 261. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
7pw5
Structure name
human smg1-8-9 kinase complex with alphafold predicted smg8 c- terminus, bound to a smg1 inhibitor
Structure deposition date
2021-10-06
Thiol separation (Å)
8
Half-sphere exposure sum ?
85
Minimum pKa ?
12
% buried
94
Peptide accession
Q8ND04
Residue number A
48
Residue number B
261
Peptide name
Nonsense-mediated mRNA decay factor SMG8

Ligandability

Cysteine 48 of Nonsense-mediated mRNA decay factor SMG8

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 261 of Nonsense-mediated mRNA decay factor SMG8

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 Nonsense-mediated mRNA decay factor SMG8 between cysteines 48 and 207. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
6syt
Structure name
structure of the smg1-smg8-smg9 complex
Structure deposition date
2019-10-01
Thiol separation (Å)
8
Half-sphere exposure sum ?
82
Minimum pKa ?
12
% buried
100
Peptide accession
Q8ND04
Residue number A
48
Residue number B
207
Peptide name
Nonsense-mediated mRNA decay factor SMG8

Ligandability

Cysteine 48 of Nonsense-mediated mRNA decay factor SMG8

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 207 of Nonsense-mediated mRNA decay factor SMG8

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 Nonsense-mediated mRNA decay factor SMG8 between cysteines 207 and 261. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
24
PDB code
6syt
Structure name
structure of the smg1-smg8-smg9 complex
Structure deposition date
2019-10-01
Thiol separation (Å)
10
Half-sphere exposure sum ?
86
Minimum pKa ?
13
% buried
97
Peptide accession
Q8ND04
Residue number A
207
Residue number B
261
Peptide name
Nonsense-mediated mRNA decay factor SMG8

Ligandability

Cysteine 207 of Nonsense-mediated mRNA decay factor SMG8

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 261 of Nonsense-mediated mRNA decay factor SMG8

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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