ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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DNA mismatch repair protein Msh6

Intramolecular
Cysteine 765 and cysteine 1062
Cysteine 559 and cysteine 687
Cysteine 1075 and cysteine 1165
Cysteine 1269 and cysteine 1294 L
Cysteine 1062 and cysteine 1158
Cysteine 964 and cysteine 1003
Cysteine 1129 and cysteine 1241
Cysteine 687 and cysteine 694
Cysteine 1158 and cysteine 1165
A redox-regulated disulphide may form within DNA mismatch repair protein Msh6 between cysteines 765 and 1062.

Details

Redox score ?
73
PDB code
2o8b
Structure name
human mutsalpha (msh2/msh6) bound to adp and a g t mispair
Structure deposition date
2006-12-12
Thiol separation (Å)
4
Half-sphere exposure sum ?
72
Minimum pKa ?
7
% buried
88
Peptide accession
P52701
Residue number A
765
Residue number B
1062
Peptide name
DNA mismatch repair protein Msh6

Ligandability

Cysteine 765 of DNA mismatch repair protein Msh6

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 1062 of DNA mismatch repair protein Msh6

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 DNA mismatch repair protein Msh6 between cysteines 559 and 687.

Details

Redox score ?
66
PDB code
2o8e
Structure name
human mutsalpha (msh2/msh6) bound to a g t mispair, with adp bound to msh2 only
Structure deposition date
2006-12-12
Thiol separation (Å)
3
Half-sphere exposure sum ?
97
Minimum pKa ?
9
% buried
100
Peptide accession
P52701
Residue number A
559
Residue number B
687
Peptide name
DNA mismatch repair protein Msh6

Ligandability

Cysteine 559 of DNA mismatch repair protein Msh6

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 687 of DNA mismatch repair protein Msh6

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 DNA mismatch repair protein Msh6 between cysteines 1075 and 1165. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
2o8c
Structure name
human mutsalpha (msh2/msh6) bound to adp and an o6-methyl-guanine t mispair
Structure deposition date
2006-12-12
Thiol separation (Å)
6
Half-sphere exposure sum ?
67
Minimum pKa ?
11
% buried
74
Peptide accession
P52701
Residue number A
1075
Residue number B
1165
Peptide name
DNA mismatch repair protein Msh6

Ligandability

Cysteine 1075 of DNA mismatch repair protein Msh6

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 1165 of DNA mismatch repair protein Msh6

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 DNA mismatch repair protein Msh6 between cysteines 1269 and 1294. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
2o8c
Structure name
human mutsalpha (msh2/msh6) bound to adp and an o6-methyl-guanine t mispair
Structure deposition date
2006-12-12
Thiol separation (Å)
9
Half-sphere exposure sum ?
54
Minimum pKa ?
9
% buried
46
Peptide accession
P52701
Residue number A
1269
Residue number B
1294
Peptide name
DNA mismatch repair protein Msh6

Ligandability

Cysteine 1269 of DNA mismatch repair protein Msh6

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 1294 of DNA mismatch repair protein Msh6

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 DNA mismatch repair protein Msh6 between cysteines 1062 and 1158. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
2o8c
Structure name
human mutsalpha (msh2/msh6) bound to adp and an o6-methyl-guanine t mispair
Structure deposition date
2006-12-12
Thiol separation (Å)
8
Half-sphere exposure sum ?
81
Minimum pKa ?
8
% buried
94
Peptide accession
P52701
Residue number A
1062
Residue number B
1158
Peptide name
DNA mismatch repair protein Msh6

Ligandability

Cysteine 1062 of DNA mismatch repair protein Msh6

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 1158 of DNA mismatch repair protein Msh6

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 DNA mismatch repair protein Msh6 between cysteines 964 and 1003. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
2o8b
Structure name
human mutsalpha (msh2/msh6) bound to adp and a g t mispair
Structure deposition date
2006-12-12
Thiol separation (Å)
10
Half-sphere exposure sum ?
53
Minimum pKa ?
10
% buried
44
Peptide accession
P52701
Residue number A
964
Residue number B
1003
Peptide name
DNA mismatch repair protein Msh6

Ligandability

Cysteine 964 of DNA mismatch repair protein Msh6

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 1003 of DNA mismatch repair protein Msh6

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 DNA mismatch repair protein Msh6 between cysteines 1129 and 1241. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
2o8d
Structure name
human mutsalpha (msh2/msh6) bound to adp and a g du mispair
Structure deposition date
2006-12-12
Thiol separation (Å)
8
Half-sphere exposure sum ?
88
Minimum pKa ?
11
% buried
98
Peptide accession
P52701
Residue number A
1129
Residue number B
1241
Peptide name
DNA mismatch repair protein Msh6

Ligandability

Cysteine 1129 of DNA mismatch repair protein Msh6

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 1241 of DNA mismatch repair protein Msh6

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 DNA mismatch repair protein Msh6 between cysteines 687 and 694. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
2o8b
Structure name
human mutsalpha (msh2/msh6) bound to adp and a g t mispair
Structure deposition date
2006-12-12
Thiol separation (Å)
10
Half-sphere exposure sum ?
86
Minimum pKa ?
9
% buried
100
Peptide accession
P52701
Residue number A
687
Residue number B
694
Peptide name
DNA mismatch repair protein Msh6

Ligandability

Cysteine 687 of DNA mismatch repair protein Msh6

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 694 of DNA mismatch repair protein Msh6

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 DNA mismatch repair protein Msh6 between cysteines 1158 and 1165. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
27
PDB code
8ag6
Structure name
human mutsalpha (msh2/msh6) binding to dna with a gt mismatch
Structure deposition date
2022-07-19
Thiol separation (Å)
10
Half-sphere exposure sum ?
83
Minimum pKa ?
12
% buried
100
Peptide accession
P52701
Residue number A
1158
Residue number B
1165
Peptide name
DNA mismatch repair protein Msh6

Ligandability

Cysteine 1158 of DNA mismatch repair protein Msh6

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 1165 of DNA mismatch repair protein Msh6

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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