ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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ATPase GET3

Intermolecular
Cysteine 292 and cysteine 292
Cysteine 289 and cysteine 289
Intramolecular
Cysteine 289 and cysteine 292
Cysteine 246 and cysteine 248
Cysteine 53 and cysteine 55
A redox-regulated disulphide may form between two units of ATPase GET3 at cysteines 292 and 292.

Details

Redox score ?
82
PDB code
6so5
Structure name
homo sapiens wrb/caml heterotetramer in complex with a trc40 dimer
Structure deposition date
2019-08-29
Thiol separation (Å)
3
Half-sphere exposure sum ?
79
Minimum pKa ?
5
% buried
57
Peptide A name
ATPase GET3
Peptide B name
ATPase GET3
Peptide A accession
O43681
Peptide B accession
O43681
Peptide A residue number
292
Peptide B residue number
292

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 two units of ATPase GET3 at cysteines 289 and 289.

Details

Redox score ?
80
PDB code
6so5
Structure name
homo sapiens wrb/caml heterotetramer in complex with a trc40 dimer
Structure deposition date
2019-08-29
Thiol separation (Å)
3
Half-sphere exposure sum ?
60
Minimum pKa ?
9
% buried
26
Peptide A name
ATPase GET3
Peptide B name
ATPase GET3
Peptide A accession
O43681
Peptide B accession
O43681
Peptide A residue number
289
Peptide B residue number
289

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 within ATPase GET3 between cysteines 289 and 292.

Details

Redox score ?
84
PDB code
6so5
Structure name
homo sapiens wrb/caml heterotetramer in complex with a trc40 dimer
Structure deposition date
2019-08-29
Thiol separation (Å)
3
Half-sphere exposure sum ?
69
Minimum pKa ?
5
% buried
44
Peptide accession
O43681
Residue number A
289
Residue number B
292
Peptide name
ATPase GET3

Ligandability

Cysteine 289 of ATPase GET3

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 292 of ATPase GET3

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 ATPase GET3 between cysteines 246 and 248. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
6so5
Structure name
homo sapiens wrb/caml heterotetramer in complex with a trc40 dimer
Structure deposition date
2019-08-29
Thiol separation (Å)
8
Half-sphere exposure sum ?
90
Minimum pKa ?
12
% buried
100
Peptide accession
O43681
Residue number A
246
Residue number B
248
Peptide name
ATPase GET3

Ligandability

Cysteine 246 of ATPase GET3

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 248 of ATPase GET3

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 ATPase GET3 between cysteines 53 and 55. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
26
PDB code
6so5
Structure name
homo sapiens wrb/caml heterotetramer in complex with a trc40 dimer
Structure deposition date
2019-08-29
Thiol separation (Å)
9
Half-sphere exposure sum ?
95
Minimum pKa ?
13
% buried
97
Peptide accession
O43681
Residue number A
53
Residue number B
55
Peptide name
ATPase GET3

Ligandability

Cysteine 53 of ATPase GET3

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 55 of ATPase GET3

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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