ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Protein timeless homolog

Intermolecular
Cysteine 1038 and cysteine 1038
Cysteine 845 of Poly [ADP-ribose] polymerase 1 and cysteine 1038
Cysteine 1025 and cysteine 1025
A redox-regulated disulphide may form between two units of Protein timeless homolog at cysteines 1038 and 1038.

Details

Redox score ?
87
PDB code
4xht
Structure name
crystal structure of timeless_pab domain native form
Structure deposition date
2015-01-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide A name
Protein timeless homolog
Peptide B name
Protein timeless homolog
Peptide A accession
Q9UNS1
Peptide B accession
Q9UNS1
Peptide A residue number
1038
Peptide B residue number
1038

Ligandability

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 between cysteine 845 of Poly [ADP-ribose] polymerase 1 and cysteine 1038 of Protein timeless homolog (845 and 43 respectively in this structure).

Details

Redox score ?
82
PDB code
4xhu
Structure name
the complex structure of timeless_pab and parp-1_catalytic domain
Structure deposition date
2015-01-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide A name
Poly [ADP-ribose] polymerase 1
Peptide B name
Protein timeless homolog
Peptide A accession
P09874
Peptide B accession
Q9UNS1
Peptide A residue number
845
Peptide B residue number
1038

Ligandability

Cysteine 845 of Poly [ADP-ribose] polymerase 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 1038 of Protein timeless homolog

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 between two units of Protein timeless homolog at cysteines 1025 and 1025 (30 and 30 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
27
PDB code
4xhw
Structure name
crystal structure of timeless_pab domain in semet-labelled form
Structure deposition date
2015-01-06
Thiol separation (Å)
9
Half-sphere exposure sum ?
75
Minimum pKa ?
12
% buried
100
Peptide A name
Protein timeless homolog
Peptide B name
Protein timeless homolog
Peptide A accession
Q9UNS1
Peptide B accession
Q9UNS1
Peptide A residue number
1025
Peptide B residue number
1025

Ligandability

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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