a tool for identifying drug-targetable redox-active disulphides

cDNA FLJ78721, highly similar to Homo sapiens CHK2 checkpoint homolog (S. pombe) (CHEK2), transcript variant 1, mRNA

Intramolecular

Cysteine 324 and cysteine 420

A redox-regulated disulphide may form within cDNA FLJ78721, highly similar to Homo sapiens CHK2 checkpoint homolog (S. pombe) (CHEK2), transcript variant 1, mRNA between cysteines 324 and 420. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

54

PDB code

Structure name

structural analysis of checkpoint kinase 2 (chk2) in complex with inhibitor pv1533

Structure deposition date

2010-07-07

Thiol separation (Å)

5

Half-sphere exposure sum ?

78

Minimum pK_a ?

12

% buried

94

Peptide accession

Residue number A

324

Residue number B

420

Peptide name

cDNA FLJ78721, highly similar to Homo sapiens CHK2 checkpoint homolog (S

Ligandability

Cysteine 324 of cDNA FLJ78721, highly similar to Homo sapiens CHK2 checkpoint homolog (S. pombe) (CHEK2), transcript variant 1, mRNA

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 cDNA FLJ78721, highly similar to Homo sapiens CHK2 checkpoint homolog (S. pombe) (CHEK2), transcript variant 1, mRNA

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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