ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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SUMO-activating enzyme subunit 1

Intramolecular
Cysteine 214 and cysteine 342 L
Cysteine 133 and cysteine 134
Cysteine 130 and cysteine 134
Cysteine 133 and cysteine 303
A redox-regulated disulphide may form within SUMO-activating enzyme subunit 1 between cysteines 214 and 342. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
6xog
Structure name
structure of sumo1-ml786519 adduct bound to sae
Structure deposition date
2020-07-07
Thiol separation (Å)
7
Half-sphere exposure sum ?
65
Minimum pKa ?
10
% buried
50
Peptide accession
Q9UBE0
Residue number A
214
Residue number B
342
Peptide name
SUMO-activating enzyme subunit 1

Ligandability

Cysteine 214 of SUMO-activating enzyme subunit 1

Ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 342 of SUMO-activating enzyme subunit 1

Not ligandable in the dataset of Yang et al.

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 SUMO-activating enzyme subunit 1 between cysteines 133 and 134. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
6xoi
Structure name
structure of sumo1-ml00752641 adduct bound to sae
Structure deposition date
2020-07-07
Thiol separation (Å)
7
Half-sphere exposure sum ?
79
Minimum pKa ?
12
% buried
100
Peptide accession
Q9UBE0
Residue number A
133
Residue number B
134
Peptide name
SUMO-activating enzyme subunit 1

Ligandability

Cysteine 133 of SUMO-activating enzyme subunit 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 134 of SUMO-activating enzyme subunit 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.

A redox-regulated disulphide may form within SUMO-activating enzyme subunit 1 between cysteines 130 and 134. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
28
PDB code
6xoh
Structure name
structure of sumo1-ml00789344 adduct bound to sae
Structure deposition date
2020-07-07
Thiol separation (Å)
9
Half-sphere exposure sum ?
88
Minimum pKa ?
13
% buried
100
Peptide accession
Q9UBE0
Residue number A
130
Residue number B
134
Peptide name
SUMO-activating enzyme subunit 1

Ligandability

Cysteine 130 of SUMO-activating enzyme subunit 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 134 of SUMO-activating enzyme subunit 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.

A redox-regulated disulphide may form within SUMO-activating enzyme subunit 1 between cysteines 133 and 303. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
27
PDB code
6cwy
Structure name
crystal structure of sumo e1 in complex with an allosteric inhibitor
Structure deposition date
2018-04-01
Thiol separation (Å)
9
Half-sphere exposure sum ?
92
Minimum pKa ?
13
% buried
100
Peptide accession
Q9UBE0
Residue number A
133
Residue number B
303
Peptide name
SUMO-activating enzyme subunit 1

Ligandability

Cysteine 133 of SUMO-activating enzyme subunit 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 303 of SUMO-activating enzyme subunit 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.

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