ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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SUMO-activating enzyme subunit 2

Intramolecular
Cysteine 158 and cysteine 441
Cysteine 441 and cysteine 444 L
Cysteine 161 and cysteine 444 L
Cysteine 158 and cysteine 161
Cysteine 161 and cysteine 441
Cysteine 158 and cysteine 444 L
A redox-regulated disulphide may form within SUMO-activating enzyme subunit 2 between cysteines 158 and 441.

Details

Redox score ?
82
PDB code
3kyd
Structure name
human sumo e1~sumo1-amp tetrahedral intermediate mimic
Structure deposition date
2009-12-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
66
Minimum pKa ?
5
% buried
75
Peptide accession
Q9UBT2
Residue number A
158
Residue number B
441
Peptide name
SUMO-activating enzyme subunit 2

Ligandability

Cysteine 158 of SUMO-activating enzyme subunit 2

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 441 of SUMO-activating enzyme subunit 2

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 2 between cysteines 441 and 444.

Details

Redox score ?
82
PDB code
6xog
Structure name
structure of sumo1-ml786519 adduct bound to sae
Structure deposition date
2020-07-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
6
% buried
53
Peptide accession
Q9UBT2
Residue number A
441
Residue number B
444
Peptide name
SUMO-activating enzyme subunit 2

Ligandability

Cysteine 441 of SUMO-activating enzyme subunit 2

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 444 of SUMO-activating enzyme subunit 2

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within SUMO-activating enzyme subunit 2 between cysteines 161 and 444.

Details

Redox score ?
81
PDB code
6cwz
Structure name
crystal structure of apo sumo e1
Structure deposition date
2018-04-01
Thiol separation (Å)
3
Half-sphere exposure sum ?
63
Minimum pKa ?
9
% buried
46
Peptide accession
Q9UBT2
Residue number A
161
Residue number B
444
Peptide name
SUMO-activating enzyme subunit 2

Ligandability

Cysteine 161 of SUMO-activating enzyme subunit 2

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 444 of SUMO-activating enzyme subunit 2

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within SUMO-activating enzyme subunit 2 between cysteines 158 and 161.

Details

Redox score ?
77
PDB code
6cwz
Structure name
crystal structure of apo sumo e1
Structure deposition date
2018-04-01
Thiol separation (Å)
4
Half-sphere exposure sum ?
66
Minimum pKa ?
9
% buried
60
Peptide accession
Q9UBT2
Residue number A
158
Residue number B
161
Peptide name
SUMO-activating enzyme subunit 2

Ligandability

Cysteine 158 of SUMO-activating enzyme subunit 2

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 161 of SUMO-activating enzyme subunit 2

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 2 between cysteines 161 and 441.

Details

Redox score ?
69
PDB code
3kyc
Structure name
human sumo e1 complex with a sumo1-amp mimic
Structure deposition date
2009-12-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
48
Minimum pKa ?
14
% buried
nan
Peptide accession
Q9UBT2
Residue number A
161
Residue number B
441
Peptide name
SUMO-activating enzyme subunit 2

Ligandability

Cysteine 161 of SUMO-activating enzyme subunit 2

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 441 of SUMO-activating enzyme subunit 2

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 2 between cysteines 158 and 444.

Details

Redox score ?
61
PDB code
6xog
Structure name
structure of sumo1-ml786519 adduct bound to sae
Structure deposition date
2020-07-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
79
Minimum pKa ?
14
% buried
64
Peptide accession
Q9UBT2
Residue number A
158
Residue number B
444
Peptide name
SUMO-activating enzyme subunit 2

Ligandability

Cysteine 158 of SUMO-activating enzyme subunit 2

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 444 of SUMO-activating enzyme subunit 2

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.

Ligandable in the dataset of Kuljanin et al.

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