ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Inositol-trisphosphate 3-kinase B

Intramolecular
Cysteine 681 and cysteine 687
Cysteine 687 and cysteine 861
A redox-regulated disulphide may form within Inositol-trisphosphate 3-kinase B between cysteines 681 and 687 (689 and 695 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
2aqx
Structure name
crystal structure of the catalytic and cam-binding domains of inositol 1,4,5-trisphosphate 3-kinase b
Structure deposition date
2005-08-18
Thiol separation (Å)
8
Half-sphere exposure sum ?
63
Minimum pKa ?
9
% buried
70
Peptide accession
P42335
Residue number A
681
Residue number B
687
Peptide name
Inositol-trisphosphate 3-kinase B

Ligandability

Cysteine 681 of Inositol-trisphosphate 3-kinase B

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 Inositol-trisphosphate 3-kinase B

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 Inositol-trisphosphate 3-kinase B between cysteines 687 and 861 (695 and 869 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
2aqx
Structure name
crystal structure of the catalytic and cam-binding domains of inositol 1,4,5-trisphosphate 3-kinase b
Structure deposition date
2005-08-18
Thiol separation (Å)
10
Half-sphere exposure sum ?
65
Minimum pKa ?
10
% buried
58
Peptide accession
P42335
Residue number A
687
Residue number B
861
Peptide name
Inositol-trisphosphate 3-kinase B

Ligandability

Cysteine 687 of Inositol-trisphosphate 3-kinase B

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 861 of Inositol-trisphosphate 3-kinase B

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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