ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Home
About
List

DNA cross-link repair 1A protein

Intramolecular
Cysteine 701 and cysteine 725
Cysteine 925 and cysteine 949
A redox-regulated disulphide may form within DNA cross-link repair 1A protein between cysteines 701 and 725. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
5nzx
Structure name
crystal structure of dna cross-link repair protein 1a in complex with ceftriaxone (alternative site)
Structure deposition date
2017-05-15
Thiol separation (Å)
8
Half-sphere exposure sum ?
50
Minimum pKa ?
10
% buried
44
Peptide accession
Q6PJP8
Residue number A
701
Residue number B
725
Peptide name
DNA cross-link repair 1A protein

Ligandability

Cysteine 701 of DNA cross-link repair 1A protein

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 725 of DNA cross-link repair 1A protein

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 DNA cross-link repair 1A protein between cysteines 925 and 949. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
5q5j
Structure name
pandda analysis group deposition -- crystal structure of dclre1a after initial refinement with no ligand modelled (structure 120)
Structure deposition date
2017-05-25
Thiol separation (Å)
8
Half-sphere exposure sum ?
47
Minimum pKa ?
10
% buried
14
Peptide accession
Q6PJP8
Residue number A
925
Residue number B
949
Peptide name
DNA cross-link repair 1A protein

Ligandability

Cysteine 925 of DNA cross-link repair 1A protein

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 949 of DNA cross-link repair 1A protein

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: