ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Serine/threonine-protein kinase Chk2

Intramolecular
Cysteine 324 and cysteine 420
Cysteine 121 and cysteine 124
Cysteine 284 and cysteine 362
A redox-regulated disulphide may form within Serine/threonine-protein kinase Chk2 between cysteines 324 and 420.

Details

Redox score ?
63
PDB code
3i6w
Structure name
structure and activation mechanism of the chk2 dna-damage checkpoint kinase
Structure deposition date
2009-07-07
Thiol separation (Å)
5
Half-sphere exposure sum ?
77
Minimum pKa ?
8
% buried
96
Peptide accession
O96017
Residue number A
324
Residue number B
420
Peptide name
Serine/threonine-protein kinase Chk2

Ligandability

Cysteine 324 of Serine/threonine-protein kinase Chk2

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 420 of Serine/threonine-protein kinase Chk2

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 Serine/threonine-protein kinase Chk2 between cysteines 121 and 124.

Details

Redox score ?
63
PDB code
3i6u
Structure name
structure and activation mechanism of the chk2 dna-damage checkpoint kinase
Structure deposition date
2009-07-07
Thiol separation (Å)
6
Half-sphere exposure sum ?
51
Minimum pKa ?
10
% buried
25
Peptide accession
O96017
Residue number A
121
Residue number B
124
Peptide name
Serine/threonine-protein kinase Chk2

Ligandability

Cysteine 121 of Serine/threonine-protein kinase Chk2

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 124 of Serine/threonine-protein kinase Chk2

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 Serine/threonine-protein kinase Chk2 between cysteines 284 and 362. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
3i6w
Structure name
structure and activation mechanism of the chk2 dna-damage checkpoint kinase
Structure deposition date
2009-07-07
Thiol separation (Å)
10
Half-sphere exposure sum ?
71
Minimum pKa ?
9
% buried
76
Peptide accession
O96017
Residue number A
284
Residue number B
362
Peptide name
Serine/threonine-protein kinase Chk2

Ligandability

Cysteine 284 of Serine/threonine-protein kinase Chk2

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 362 of Serine/threonine-protein kinase Chk2

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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