ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Mitotic checkpoint serine/threonine-protein kinase BUB1

Intramolecular
Cysteine 966 and cysteine 973
Cysteine 973 and cysteine 1041
Cysteine 973 and cysteine 1013
A redox-regulated disulphide may form within Mitotic checkpoint serine/threonine-protein kinase BUB1 between cysteines 966 and 973. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
4qpm
Structure name
structure of bub1 kinase domain
Structure deposition date
2014-06-24
Thiol separation (Å)
7
Half-sphere exposure sum ?
66
Minimum pKa ?
11
% buried
78
Peptide accession
O43683
Residue number A
966
Residue number B
973
Peptide name
Mitotic checkpoint serine/threonine-protein kinase BUB1

Ligandability

Cysteine 966 of Mitotic checkpoint serine/threonine-protein kinase BUB1

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 973 of Mitotic checkpoint serine/threonine-protein kinase BUB1

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 Mitotic checkpoint serine/threonine-protein kinase BUB1 between cysteines 973 and 1041. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
5dmz
Structure name
structure of human bub1 kinase domain phosphorylated at ser969
Structure deposition date
2015-09-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
63
Minimum pKa ?
10
% buried
68
Peptide accession
O43683
Residue number A
973
Residue number B
1041
Peptide name
Mitotic checkpoint serine/threonine-protein kinase BUB1

Ligandability

Cysteine 973 of Mitotic checkpoint serine/threonine-protein kinase BUB1

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 1041 of Mitotic checkpoint serine/threonine-protein kinase BUB1

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 Mitotic checkpoint serine/threonine-protein kinase BUB1 between cysteines 973 and 1013. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
5dmz
Structure name
structure of human bub1 kinase domain phosphorylated at ser969
Structure deposition date
2015-09-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
67
Minimum pKa ?
11
% buried
70
Peptide accession
O43683
Residue number A
973
Residue number B
1013
Peptide name
Mitotic checkpoint serine/threonine-protein kinase BUB1

Ligandability

Cysteine 973 of Mitotic checkpoint serine/threonine-protein kinase BUB1

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 1013 of Mitotic checkpoint serine/threonine-protein kinase BUB1

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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