a tool for identifying drug-targetable redox-active disulphides

Calcium-binding protein 1

Intramolecular

Cysteine 247 and cysteine 253

A redox-regulated disulphide may form within Calcium-binding protein 1 between cysteines 247 and 253 (44 and 50 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

Structure name

nmr structure of ca2+-bound cabp1 n-domain with rdc

Structure deposition date

2011-03-16

Thiol separation (Å)

9

Half-sphere exposure sum ?

64

Minimum pK_a ?

10

% buried

32

Peptide accession

Residue number A

247

Residue number B

253

Peptide name

Calcium-binding protein 1

Ligandability

Cysteine 247 of Calcium-binding protein 1

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 253 of Calcium-binding protein 1

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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