ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Non-structural maintenance of chromosomes element 1 homolog

Intramolecular
Cysteine 191 and cysteine 194
Cysteine 204 and cysteine 207
Cysteine 207 and cysteine 228
Cysteine 228 and cysteine 231
Cysteine 191 and cysteine 215
Cysteine 207 and cysteine 231
Cysteine 204 and cysteine 228
Cysteine 204 and cysteine 231
Cysteine 194 and cysteine 215
A redox-regulated disulphide may form within Non-structural maintenance of chromosomes element 1 homolog between cysteines 191 and 194.

Details

Redox score ?
93
PDB code
5hvq
Structure name
alternative model of the mage-g1 nse-1 complex
Structure deposition date
2016-01-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
46
Minimum pKa ?
1
% buried
42
Peptide accession
Q8WV22
Residue number A
191
Residue number B
194
Peptide name
Non-structural maintenance of chromosomes element 1 homolog

Ligandability

Cysteine 191 of Non-structural maintenance of chromosomes element 1 homolog

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 194 of Non-structural maintenance of chromosomes element 1 homolog

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 Non-structural maintenance of chromosomes element 1 homolog between cysteines 204 and 207.

Details

Redox score ?
88
PDB code
5hvq
Structure name
alternative model of the mage-g1 nse-1 complex
Structure deposition date
2016-01-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
44
Minimum pKa ?
6
% buried
1
Peptide accession
Q8WV22
Residue number A
204
Residue number B
207
Peptide name
Non-structural maintenance of chromosomes element 1 homolog

Ligandability

Cysteine 204 of Non-structural maintenance of chromosomes element 1 homolog

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 Non-structural maintenance of chromosomes element 1 homolog

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 Non-structural maintenance of chromosomes element 1 homolog between cysteines 207 and 228.

Details

Redox score ?
88
PDB code
5hvq
Structure name
alternative model of the mage-g1 nse-1 complex
Structure deposition date
2016-01-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
45
Minimum pKa ?
6
% buried
6
Peptide accession
Q8WV22
Residue number A
207
Residue number B
228
Peptide name
Non-structural maintenance of chromosomes element 1 homolog

Ligandability

Cysteine 207 of Non-structural maintenance of chromosomes element 1 homolog

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 228 of Non-structural maintenance of chromosomes element 1 homolog

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 Non-structural maintenance of chromosomes element 1 homolog between cysteines 228 and 231.

Details

Redox score ?
87
PDB code
5wy5
Structure name
crystal structure of mageg1 and nse1 complex
Structure deposition date
2017-01-11
Thiol separation (Å)
3
Half-sphere exposure sum ?
43
Minimum pKa ?
8
% buried
6
Peptide accession
Q8WV22
Residue number A
228
Residue number B
231
Peptide name
Non-structural maintenance of chromosomes element 1 homolog

Ligandability

Cysteine 228 of Non-structural maintenance of chromosomes element 1 homolog

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 231 of Non-structural maintenance of chromosomes element 1 homolog

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 Non-structural maintenance of chromosomes element 1 homolog between cysteines 191 and 215.

Details

Redox score ?
86
PDB code
5wy5
Structure name
crystal structure of mageg1 and nse1 complex
Structure deposition date
2017-01-11
Thiol separation (Å)
3
Half-sphere exposure sum ?
64
Minimum pKa ?
5
% buried
49
Peptide accession
Q8WV22
Residue number A
191
Residue number B
215
Peptide name
Non-structural maintenance of chromosomes element 1 homolog

Ligandability

Cysteine 191 of Non-structural maintenance of chromosomes element 1 homolog

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 215 of Non-structural maintenance of chromosomes element 1 homolog

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 Non-structural maintenance of chromosomes element 1 homolog between cysteines 207 and 231.

Details

Redox score ?
86
PDB code
5wy5
Structure name
crystal structure of mageg1 and nse1 complex
Structure deposition date
2017-01-11
Thiol separation (Å)
4
Half-sphere exposure sum ?
34
Minimum pKa ?
8
% buried
0
Peptide accession
Q8WV22
Residue number A
207
Residue number B
231
Peptide name
Non-structural maintenance of chromosomes element 1 homolog

Ligandability

Cysteine 207 of Non-structural maintenance of chromosomes element 1 homolog

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 231 of Non-structural maintenance of chromosomes element 1 homolog

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 Non-structural maintenance of chromosomes element 1 homolog between cysteines 204 and 228.

Details

Redox score ?
85
PDB code
5hvq
Structure name
alternative model of the mage-g1 nse-1 complex
Structure deposition date
2016-01-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
53
Minimum pKa ?
7
% buried
8
Peptide accession
Q8WV22
Residue number A
204
Residue number B
228
Peptide name
Non-structural maintenance of chromosomes element 1 homolog

Ligandability

Cysteine 204 of Non-structural maintenance of chromosomes element 1 homolog

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 228 of Non-structural maintenance of chromosomes element 1 homolog

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 Non-structural maintenance of chromosomes element 1 homolog between cysteines 204 and 231.

Details

Redox score ?
85
PDB code
5hvq
Structure name
alternative model of the mage-g1 nse-1 complex
Structure deposition date
2016-01-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
42
Minimum pKa ?
7
% buried
1
Peptide accession
Q8WV22
Residue number A
204
Residue number B
231
Peptide name
Non-structural maintenance of chromosomes element 1 homolog

Ligandability

Cysteine 204 of Non-structural maintenance of chromosomes element 1 homolog

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 231 of Non-structural maintenance of chromosomes element 1 homolog

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 Non-structural maintenance of chromosomes element 1 homolog between cysteines 194 and 215.

Details

Redox score ?
79
PDB code
5wy5
Structure name
crystal structure of mageg1 and nse1 complex
Structure deposition date
2017-01-11
Thiol separation (Å)
3
Half-sphere exposure sum ?
56
Minimum pKa ?
9
% buried
42
Peptide accession
Q8WV22
Residue number A
194
Residue number B
215
Peptide name
Non-structural maintenance of chromosomes element 1 homolog

Ligandability

Cysteine 194 of Non-structural maintenance of chromosomes element 1 homolog

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 215 of Non-structural maintenance of chromosomes element 1 homolog

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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