a tool for identifying drug-targetable redox-active disulphides

Beta-defensin 4

Intramolecular

Cysteine 52 and cysteine 60

A redox-regulated disulphide may form within Beta-defensin 4 between cysteines 52 and 60 (19 and 27 respectively in this structure).

Details

Redox score ?

62

PDB code

Structure name

solution nmr structure of peptide p9r

Structure deposition date

2020-03-10

Thiol separation (Å)

7

Half-sphere exposure sum ?

19

Minimum pK_a ?

9

% buried

0

Peptide accession

Residue number A

52

Residue number B

60

Peptide name

Beta-defensin 4

Ligandability

Cysteine 52 of Beta-defensin 4

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 60 of Beta-defensin 4

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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