ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Ankyrin-3

Intramolecular
Cysteine 1340 and cysteine 1438
Cysteine 1338 and cysteine 1377
Cysteine 1338 and cysteine 1438
Cysteine 1338 and cysteine 1340
A redox-regulated disulphide may form within Ankyrin-3 between cysteines 1340 and 1438 (1315 and 1413 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
6m3p
Structure name
crystal structure of ankg/beta2-spectrin complex
Structure deposition date
2020-03-04
Thiol separation (Å)
9
Half-sphere exposure sum ?
77
Minimum pKa ?
11
% buried
60
Peptide accession
O70511
Residue number A
1340
Residue number B
1438
Peptide name
Ankyrin-3

Ligandability

Cysteine 1340 of Ankyrin-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.

Cysteine 1438 of Ankyrin-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.

A redox-regulated disulphide may form within Ankyrin-3 between cysteines 1338 and 1377 (1313 and 1352 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
6m3p
Structure name
crystal structure of ankg/beta2-spectrin complex
Structure deposition date
2020-03-04
Thiol separation (Å)
9
Half-sphere exposure sum ?
71
Minimum pKa ?
10
% buried
50
Peptide accession
O70511
Residue number A
1338
Residue number B
1377
Peptide name
Ankyrin-3

Ligandability

Cysteine 1338 of Ankyrin-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.

Cysteine 1377 of Ankyrin-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.

A redox-regulated disulphide may form within Ankyrin-3 between cysteines 1338 and 1438 (1313 and 1413 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
6m3p
Structure name
crystal structure of ankg/beta2-spectrin complex
Structure deposition date
2020-03-04
Thiol separation (Å)
9
Half-sphere exposure sum ?
75
Minimum pKa ?
11
% buried
61
Peptide accession
O70511
Residue number A
1338
Residue number B
1438
Peptide name
Ankyrin-3

Ligandability

Cysteine 1338 of Ankyrin-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.

Cysteine 1438 of Ankyrin-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.

A redox-regulated disulphide may form within Ankyrin-3 between cysteines 1338 and 1340 (1313 and 1315 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
28
PDB code
6m3p
Structure name
crystal structure of ankg/beta2-spectrin complex
Structure deposition date
2020-03-04
Thiol separation (Å)
10
Half-sphere exposure sum ?
90
Minimum pKa ?
12
% buried
82
Peptide accession
O70511
Residue number A
1338
Residue number B
1340
Peptide name
Ankyrin-3

Ligandability

Cysteine 1338 of Ankyrin-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.

Cysteine 1340 of Ankyrin-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.

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