a tool for identifying drug-targetable redox-active disulphides

Apoptosis-inducing factor 3

Intermolecular

Cysteine 294 of Glycylpeptide N-tetradecanoyltransferase 1 and cysteine 4

A redox-regulated disulphide may form between cysteine 294 of Glycylpeptide N-tetradecanoyltransferase 1 and cysteine 4 of Apoptosis-inducing factor 3 (294 and 3 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

29

PDB code

Structure name

hsnmt1 in complex with both myrcoa and acetylated-gncfskpr substrates

Structure deposition date

2019-08-14

Thiol separation (Å)

10

Half-sphere exposure sum ?

77

Minimum pK_a ?

11

% buried

100

Peptide A name

Glycylpeptide N-tetradecanoyltransferase 1

Peptide B name

Apoptosis-inducing factor 3

Peptide A accession

Peptide B accession

Peptide A residue number

294

Peptide B residue number

4

Ligandability

Cysteine 294 of Glycylpeptide N-tetradecanoyltransferase 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 4 of Apoptosis-inducing factor 3

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.

If this tool was useful for finding a disulphide, please cite: