ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Afadin

Intramolecular
Cysteine 960 and cysteine 965
Cysteine 733 and cysteine 960
A redox-regulated disulphide may form within Afadin between cysteines 960 and 965 (28 and 33 respectively in this structure).

Details

Redox score ?
78
PDB code
5a6c
Structure name
concomitant binding of afadin to lgn and f-actin directs planar spindle orientation
Structure deposition date
2015-06-25
Thiol separation (Å)
4
Half-sphere exposure sum ?
60
Minimum pKa ?
7
% buried
54
Peptide accession
P55196
Residue number A
960
Residue number B
965
Peptide name
Afadin

Ligandability

Cysteine 960 of Afadin

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 965 of Afadin

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 Afadin between cysteines 733 and 960 (117 and 118 respectively in this structure).

Details

Redox score ?
nan
PDB code
5a6c
Structure name
concomitant binding of afadin to lgn and f-actin directs planar spindle orientation
Structure deposition date
2015-06-25
Thiol separation (Å)
7
Half-sphere exposure sum ?
76
Minimum pKa ?
10
% buried
76
Peptide accession
P55196
Residue number A
733
Residue number B
960
Peptide name
Afadin

Ligandability

Cysteine 733 of Afadin

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 960 of Afadin

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.

Uncertain whether structure cysteine 117 has been assigned to correct residue.
Uncertain whether structure cysteine 118 has been assigned to correct residue.
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