a tool for identifying drug-targetable redox-active disulphides

Apoptosis regulator Bcl-2 homolog

Intermolecular

Cysteine 49 and cysteine 350 of Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase

A redox-regulated disulphide may form between cysteine 49 of Apoptosis regulator Bcl-2 homolog and cysteine 350 of Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase (49 and 37 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

37

PDB code

Structure name

crystal structure of a179l:bid bh3 complex

Structure deposition date

2016-12-19

Thiol separation (Å)

10

Half-sphere exposure sum ?

56

Minimum pK_a ?

9

% buried

33

Peptide A name

Apoptosis regulator Bcl-2 homolog

Peptide B name

Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase

Peptide A accession

Peptide B accession

Peptide A residue number

49

Peptide B residue number

350

Ligandability

Cysteine 49 of Apoptosis regulator Bcl-2 homolog

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 350 of Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase

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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