ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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DNA helicase MCM9

Intermolecular
Cysteine 235 of DNA helicase MCM8 and cysteine 257
Intramolecular
Cysteine 147 and cysteine 172
Cysteine 147 and cysteine 150
Cysteine 150 and cysteine 178
Cysteine 147 and cysteine 178
Cysteine 172 and cysteine 178
Cysteine 150 and cysteine 172
Cysteine 411 and cysteine 412
A redox-regulated disulphide may form between cysteine 235 of DNA helicase MCM8 and cysteine 257 of DNA helicase MCM9. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
7wi7
Structure name
crystal structure of human mcm8/9 complex
Structure deposition date
2022-01-03
Thiol separation (Å)
9
Half-sphere exposure sum ?
59
Minimum pKa ?
10
% buried
58
Peptide A name
DNA helicase MCM8
Peptide B name
DNA helicase MCM9
Peptide A accession
Q9UJA3
Peptide B accession
Q9NXL9
Peptide A residue number
235
Peptide B residue number
257

Ligandability

Cysteine 235 of DNA helicase MCM8

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 257 of DNA helicase MCM9

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 helicase MCM9 between cysteines 147 and 172.

Details

Redox score ?
93
PDB code
7dpd
Structure name
human mcm9 n-terminal domain
Structure deposition date
2020-12-18
Thiol separation (Å)
3
Half-sphere exposure sum ?
57
Minimum pKa ?
5
% buried
0
Peptide accession
Q9NXL9
Residue number A
147
Residue number B
172
Peptide name
DNA helicase MCM9

Ligandability

Cysteine 147 of DNA helicase MCM9

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 172 of DNA helicase MCM9

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 helicase MCM9 between cysteines 147 and 150.

Details

Redox score ?
91
PDB code
7dpd
Structure name
human mcm9 n-terminal domain
Structure deposition date
2020-12-18
Thiol separation (Å)
3
Half-sphere exposure sum ?
50
Minimum pKa ?
5
% buried
0
Peptide accession
Q9NXL9
Residue number A
147
Residue number B
150
Peptide name
DNA helicase MCM9

Ligandability

Cysteine 147 of DNA helicase MCM9

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 150 of DNA helicase MCM9

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 helicase MCM9 between cysteines 150 and 178.

Details

Redox score ?
89
PDB code
7wi7
Structure name
crystal structure of human mcm8/9 complex
Structure deposition date
2022-01-03
Thiol separation (Å)
3
Half-sphere exposure sum ?
40
Minimum pKa ?
7
% buried
0
Peptide accession
Q9NXL9
Residue number A
150
Residue number B
178
Peptide name
DNA helicase MCM9

Ligandability

Cysteine 150 of DNA helicase MCM9

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 178 of DNA helicase MCM9

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 helicase MCM9 between cysteines 147 and 178.

Details

Redox score ?
88
PDB code
7dpd
Structure name
human mcm9 n-terminal domain
Structure deposition date
2020-12-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
46
Minimum pKa ?
6
% buried
0
Peptide accession
Q9NXL9
Residue number A
147
Residue number B
178
Peptide name
DNA helicase MCM9

Ligandability

Cysteine 147 of DNA helicase MCM9

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 178 of DNA helicase MCM9

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 helicase MCM9 between cysteines 172 and 178.

Details

Redox score ?
88
PDB code
7dpd
Structure name
human mcm9 n-terminal domain
Structure deposition date
2020-12-18
Thiol separation (Å)
3
Half-sphere exposure sum ?
47
Minimum pKa ?
8
% buried
0
Peptide accession
Q9NXL9
Residue number A
172
Residue number B
178
Peptide name
DNA helicase MCM9

Ligandability

Cysteine 172 of DNA helicase MCM9

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 178 of DNA helicase MCM9

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 helicase MCM9 between cysteines 150 and 172.

Details

Redox score ?
84
PDB code
7wi7
Structure name
crystal structure of human mcm8/9 complex
Structure deposition date
2022-01-03
Thiol separation (Å)
3
Half-sphere exposure sum ?
49
Minimum pKa ?
9
% buried
0
Peptide accession
Q9NXL9
Residue number A
150
Residue number B
172
Peptide name
DNA helicase MCM9

Ligandability

Cysteine 150 of DNA helicase MCM9

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 172 of DNA helicase MCM9

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 helicase MCM9 between cysteines 411 and 412. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
7wi7
Structure name
crystal structure of human mcm8/9 complex
Structure deposition date
2022-01-03
Thiol separation (Å)
7
Half-sphere exposure sum ?
93
Minimum pKa ?
12
% buried
100
Peptide accession
Q9NXL9
Residue number A
411
Residue number B
412
Peptide name
DNA helicase MCM9

Ligandability

Cysteine 411 of DNA helicase MCM9

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 412 of DNA helicase MCM9

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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