ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Homeodomain-interacting protein kinase 3

Intramolecular
Cysteine 264 and cysteine 272
Cysteine 191 and cysteine 272
Cysteine 214 and cysteine 272
A redox-regulated disulphide may form within Homeodomain-interacting protein kinase 3 between cysteines 264 and 272. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
7o7i
Structure name
crystal structure of the human hipk3 kinase domain
Structure deposition date
2021-04-13
Thiol separation (Å)
7
Half-sphere exposure sum ?
63
Minimum pKa ?
10
% buried
53
Peptide accession
Q9H422
Residue number A
264
Residue number B
272
Peptide name
Homeodomain-interacting protein kinase 3

Ligandability

Cysteine 264 of Homeodomain-interacting protein kinase 3

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 272 of Homeodomain-interacting protein kinase 3

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 Homeodomain-interacting protein kinase 3 between cysteines 191 and 272. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
7o7j
Structure name
crystal structure of the human hipk3 kinase domain bound to abemaciclib
Structure deposition date
2021-04-13
Thiol separation (Å)
9
Half-sphere exposure sum ?
61
Minimum pKa ?
9
% buried
34
Peptide accession
Q9H422
Residue number A
191
Residue number B
272
Peptide name
Homeodomain-interacting protein kinase 3

Ligandability

Cysteine 191 of Homeodomain-interacting protein kinase 3

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 272 of Homeodomain-interacting protein kinase 3

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 Homeodomain-interacting protein kinase 3 between cysteines 214 and 272. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
7o7i
Structure name
crystal structure of the human hipk3 kinase domain
Structure deposition date
2021-04-13
Thiol separation (Å)
9
Half-sphere exposure sum ?
66
Minimum pKa ?
11
% buried
66
Peptide accession
Q9H422
Residue number A
214
Residue number B
272
Peptide name
Homeodomain-interacting protein kinase 3

Ligandability

Cysteine 214 of Homeodomain-interacting protein kinase 3

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 272 of Homeodomain-interacting protein kinase 3

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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