ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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DNA helicase MCM8

Intermolecular
Cysteine 351 and cysteine 351
Cysteine 235 and cysteine 257 of DNA helicase MCM9
Intramolecular
Cysteine 242 and cysteine 264
Cysteine 245 and cysteine 269
Cysteine 242 and cysteine 245
Cysteine 242 and cysteine 269
Cysteine 245 and cysteine 264
Cysteine 264 and cysteine 269
Cysteine 468 and cysteine 515
Cysteine 313 and cysteine 323
A redox-regulated disulphide may form between two units of DNA helicase MCM8 at cysteines 351 and 351.

Details

Redox score ?
84
PDB code
7dp3
Structure name
human mcm8 n-terminal domain
Structure deposition date
2020-12-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
54
Minimum pKa ?
nan
% buried
nan
Peptide A name
DNA helicase MCM8
Peptide B name
DNA helicase MCM8
Peptide A accession
Q9UJA3
Peptide B accession
Q9UJA3
Peptide A residue number
351
Peptide B residue number
351

Ligandability

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 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 MCM8 between cysteines 242 and 264.

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 ?
59
Minimum pKa ?
6
% buried
2
Peptide accession
Q9UJA3
Residue number A
242
Residue number B
264
Peptide name
DNA helicase MCM8

Ligandability

Cysteine 242 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 264 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.

A redox-regulated disulphide may form within DNA helicase MCM8 between cysteines 245 and 269.

Details

Redox score ?
86
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 ?
37
Minimum pKa ?
8
% buried
0
Peptide accession
Q9UJA3
Residue number A
245
Residue number B
269
Peptide name
DNA helicase MCM8

Ligandability

Cysteine 245 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 269 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.

A redox-regulated disulphide may form within DNA helicase MCM8 between cysteines 242 and 245.

Details

Redox score ?
86
PDB code
7dp3
Structure name
human mcm8 n-terminal domain
Structure deposition date
2020-12-17
Thiol separation (Å)
4
Half-sphere exposure sum ?
44
Minimum pKa ?
7
% buried
0
Peptide accession
Q9UJA3
Residue number A
242
Residue number B
245
Peptide name
DNA helicase MCM8

Ligandability

Cysteine 242 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 245 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.

A redox-regulated disulphide may form within DNA helicase MCM8 between cysteines 242 and 269.

Details

Redox score ?
85
PDB code
7wi7
Structure name
crystal structure of human mcm8/9 complex
Structure deposition date
2022-01-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
46
Minimum pKa ?
6
% buried
0
Peptide accession
Q9UJA3
Residue number A
242
Residue number B
269
Peptide name
DNA helicase MCM8

Ligandability

Cysteine 242 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 269 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.

A redox-regulated disulphide may form within DNA helicase MCM8 between cysteines 245 and 264.

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)
4
Half-sphere exposure sum ?
50
Minimum pKa ?
8
% buried
2
Peptide accession
Q9UJA3
Residue number A
245
Residue number B
264
Peptide name
DNA helicase MCM8

Ligandability

Cysteine 245 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 264 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.

A redox-regulated disulphide may form within DNA helicase MCM8 between cysteines 264 and 269.

Details

Redox score ?
76
PDB code
7wi7
Structure name
crystal structure of human mcm8/9 complex
Structure deposition date
2022-01-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
47
Minimum pKa ?
10
% buried
2
Peptide accession
Q9UJA3
Residue number A
264
Residue number B
269
Peptide name
DNA helicase MCM8

Ligandability

Cysteine 264 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 269 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.

A redox-regulated disulphide may form within DNA helicase MCM8 between cysteines 468 and 515. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
7wi7
Structure name
crystal structure of human mcm8/9 complex
Structure deposition date
2022-01-03
Thiol separation (Å)
6
Half-sphere exposure sum ?
86
Minimum pKa ?
12
% buried
90
Peptide accession
Q9UJA3
Residue number A
468
Residue number B
515
Peptide name
DNA helicase MCM8

Ligandability

Cysteine 468 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 515 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.

A redox-regulated disulphide may form within DNA helicase MCM8 between cysteines 313 and 323. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
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 ?
75
Minimum pKa ?
11
% buried
84
Peptide accession
Q9UJA3
Residue number A
313
Residue number B
323
Peptide name
DNA helicase MCM8

Ligandability

Cysteine 313 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 323 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.

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