ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Aprataxin and PNK-like factor

Intramolecular
Cysteine 421 and cysteine 427
Cysteine 379 and cysteine 385
Cysteine 62 and cysteine 81
A redox-regulated disulphide may form within Aprataxin and PNK-like factor between cysteines 421 and 427.

Details

Redox score ?
90
PDB code
2kuo
Structure name
structure and identification of adp-ribose recognition motifs of aplf and role in the dna damage response
Structure deposition date
2010-02-23
Thiol separation (Å)
3
Half-sphere exposure sum ?
41
Minimum pKa ?
8
% buried
nan
Peptide accession
Q8IW19
Residue number A
421
Residue number B
427
Peptide name
Aprataxin and PNK-like factor

Ligandability

Cysteine 421 of Aprataxin and PNK-like factor

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 427 of Aprataxin and PNK-like factor

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.

A redox-regulated disulphide may form within Aprataxin and PNK-like factor between cysteines 379 and 385.

Details

Redox score ?
84
PDB code
2kuo
Structure name
structure and identification of adp-ribose recognition motifs of aplf and role in the dna damage response
Structure deposition date
2010-02-23
Thiol separation (Å)
3
Half-sphere exposure sum ?
52
Minimum pKa ?
9
% buried
nan
Peptide accession
Q8IW19
Residue number A
379
Residue number B
385
Peptide name
Aprataxin and PNK-like factor

Ligandability

Cysteine 379 of Aprataxin and PNK-like factor

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 385 of Aprataxin and PNK-like factor

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.

A redox-regulated disulphide may form within Aprataxin and PNK-like factor between cysteines 62 and 81. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
5w7w
Structure name
crystal structure of fha domain of human aplf
Structure deposition date
2017-06-21
Thiol separation (Å)
10
Half-sphere exposure sum ?
80
Minimum pKa ?
12
% buried
82
Peptide accession
Q8IW19
Residue number A
62
Residue number B
81
Peptide name
Aprataxin and PNK-like factor

Ligandability

Cysteine 62 of Aprataxin and PNK-like factor

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 81 of Aprataxin and PNK-like factor

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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