ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Leucine-rich repeat serine/threonine-protein kinase 2

Intramolecular
Cysteine 1004 and cysteine 1005
Cysteine 2452 and cysteine 2492
Cysteine 2024 and cysteine 2025
Cysteine 2154 and cysteine 2201
Cysteine 2247 and cysteine 2302
Cysteine 746 and cysteine 749
Cysteine 695 and cysteine 696
Cysteine 696 and cysteine 727
Cysteine 2201 and cysteine 2247
Cysteine 2154 and cysteine 2171
More...
Cysteine 1059 and cysteine 1082
Cysteine 695 and cysteine 698
Cysteine 2201 and cysteine 2302
Cysteine 1770 and cysteine 1774
Cysteine 2302 and cysteine 2319
Cysteine 696 and cysteine 698
Cysteine 2247 and cysteine 2319
A redox-regulated disulphide may form within Leucine-rich repeat serine/threonine-protein kinase 2 between cysteines 1004 and 1005.

Details

Redox score ?
64
PDB code
7li4
Structure name
structure of lrrk2 after symmetry expansion
Structure deposition date
2021-01-26
Thiol separation (Å)
6
Half-sphere exposure sum ?
41
Minimum pKa ?
9
% buried
6
Peptide accession
Q5S007
Residue number A
1004
Residue number B
1005
Peptide name
Leucine-rich repeat serine/threonine-protein kinase 2

Ligandability

Cysteine 1004 of Leucine-rich repeat serine/threonine-protein kinase 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 1005 of Leucine-rich repeat serine/threonine-protein kinase 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 Leucine-rich repeat serine/threonine-protein kinase 2 between cysteines 2452 and 2492. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
60
PDB code
6dlo
Structure name
crystal structure of lrrk2 wd40 domain dimer
Structure deposition date
2018-06-02
Thiol separation (Å)
6
Half-sphere exposure sum ?
63
Minimum pKa ?
10
% buried
58
Peptide accession
Q5S007
Residue number A
2452
Residue number B
2492
Peptide name
Leucine-rich repeat serine/threonine-protein kinase 2

Ligandability

Cysteine 2452 of Leucine-rich repeat serine/threonine-protein kinase 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 2492 of Leucine-rich repeat serine/threonine-protein kinase 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 Leucine-rich repeat serine/threonine-protein kinase 2 between cysteines 2024 and 2025. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
7li3
Structure name
structure of the lrrk2 g2019s mutant
Structure deposition date
2021-01-26
Thiol separation (Å)
7
Half-sphere exposure sum ?
43
Minimum pKa ?
10
% buried
42
Peptide accession
Q5S007
Residue number A
2024
Residue number B
2025
Peptide name
Leucine-rich repeat serine/threonine-protein kinase 2

Ligandability

Cysteine 2024 of Leucine-rich repeat serine/threonine-protein kinase 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 2025 of Leucine-rich repeat serine/threonine-protein kinase 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 Leucine-rich repeat serine/threonine-protein kinase 2 between cysteines 2154 and 2201. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
6dlp
Structure name
crystal structure of lrrk2 wd40 domain dimer
Structure deposition date
2018-06-02
Thiol separation (Å)
6
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q5S007
Residue number A
2154
Residue number B
2201
Peptide name
Leucine-rich repeat serine/threonine-protein kinase 2

Ligandability

Cysteine 2154 of Leucine-rich repeat serine/threonine-protein kinase 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 2201 of Leucine-rich repeat serine/threonine-protein kinase 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 Leucine-rich repeat serine/threonine-protein kinase 2 between cysteines 2247 and 2302. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
6dlp
Structure name
crystal structure of lrrk2 wd40 domain dimer
Structure deposition date
2018-06-02
Thiol separation (Å)
6
Half-sphere exposure sum ?
89
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q5S007
Residue number A
2247
Residue number B
2302
Peptide name
Leucine-rich repeat serine/threonine-protein kinase 2

Ligandability

Cysteine 2247 of Leucine-rich repeat serine/threonine-protein kinase 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 2302 of Leucine-rich repeat serine/threonine-protein kinase 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 Leucine-rich repeat serine/threonine-protein kinase 2 between cysteines 746 and 749. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
7lht
Structure name
structure of the lrrk2 dimer
Structure deposition date
2021-01-26
Thiol separation (Å)
7
Half-sphere exposure sum ?
79
Minimum pKa ?
10
% buried
58
Peptide accession
Q5S007
Residue number A
746
Residue number B
749
Peptide name
Leucine-rich repeat serine/threonine-protein kinase 2

Ligandability

Cysteine 746 of Leucine-rich repeat serine/threonine-protein kinase 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 749 of Leucine-rich repeat serine/threonine-protein kinase 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 Leucine-rich repeat serine/threonine-protein kinase 2 between cysteines 695 and 696. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
7lhw
Structure name
structure of the lrrk2 monomer
Structure deposition date
2021-01-26
Thiol separation (Å)
7
Half-sphere exposure sum ?
70
Minimum pKa ?
12
% buried
82
Peptide accession
Q5S007
Residue number A
695
Residue number B
696
Peptide name
Leucine-rich repeat serine/threonine-protein kinase 2

Ligandability

Cysteine 695 of Leucine-rich repeat serine/threonine-protein kinase 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 696 of Leucine-rich repeat serine/threonine-protein kinase 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 Leucine-rich repeat serine/threonine-protein kinase 2 between cysteines 696 and 727. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
7lhw
Structure name
structure of the lrrk2 monomer
Structure deposition date
2021-01-26
Thiol separation (Å)
8
Half-sphere exposure sum ?
74
Minimum pKa ?
12
% buried
86
Peptide accession
Q5S007
Residue number A
696
Residue number B
727
Peptide name
Leucine-rich repeat serine/threonine-protein kinase 2

Ligandability

Cysteine 696 of Leucine-rich repeat serine/threonine-protein kinase 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 727 of Leucine-rich repeat serine/threonine-protein kinase 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 Leucine-rich repeat serine/threonine-protein kinase 2 between cysteines 2201 and 2247. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
6dlo
Structure name
crystal structure of lrrk2 wd40 domain dimer
Structure deposition date
2018-06-02
Thiol separation (Å)
6
Half-sphere exposure sum ?
89
Minimum pKa ?
13
% buried
100
Peptide accession
Q5S007
Residue number A
2201
Residue number B
2247
Peptide name
Leucine-rich repeat serine/threonine-protein kinase 2

Ligandability

Cysteine 2201 of Leucine-rich repeat serine/threonine-protein kinase 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 2247 of Leucine-rich repeat serine/threonine-protein kinase 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 Leucine-rich repeat serine/threonine-protein kinase 2 between cysteines 2154 and 2171. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
6dlp
Structure name
crystal structure of lrrk2 wd40 domain dimer
Structure deposition date
2018-06-02
Thiol separation (Å)
9
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q5S007
Residue number A
2154
Residue number B
2171
Peptide name
Leucine-rich repeat serine/threonine-protein kinase 2

Ligandability

Cysteine 2154 of Leucine-rich repeat serine/threonine-protein kinase 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 2171 of Leucine-rich repeat serine/threonine-protein kinase 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 Leucine-rich repeat serine/threonine-protein kinase 2 between cysteines 1059 and 1082. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
7lhw
Structure name
structure of the lrrk2 monomer
Structure deposition date
2021-01-26
Thiol separation (Å)
9
Half-sphere exposure sum ?
60
Minimum pKa ?
9
% buried
32
Peptide accession
Q5S007
Residue number A
1059
Residue number B
1082
Peptide name
Leucine-rich repeat serine/threonine-protein kinase 2

Ligandability

Cysteine 1059 of Leucine-rich repeat serine/threonine-protein kinase 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 1082 of Leucine-rich repeat serine/threonine-protein kinase 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 Leucine-rich repeat serine/threonine-protein kinase 2 between cysteines 695 and 698. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
7lhw
Structure name
structure of the lrrk2 monomer
Structure deposition date
2021-01-26
Thiol separation (Å)
8
Half-sphere exposure sum ?
72
Minimum pKa ?
13
% buried
92
Peptide accession
Q5S007
Residue number A
695
Residue number B
698
Peptide name
Leucine-rich repeat serine/threonine-protein kinase 2

Ligandability

Cysteine 695 of Leucine-rich repeat serine/threonine-protein kinase 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 698 of Leucine-rich repeat serine/threonine-protein kinase 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 Leucine-rich repeat serine/threonine-protein kinase 2 between cysteines 2201 and 2302. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
6dlp
Structure name
crystal structure of lrrk2 wd40 domain dimer
Structure deposition date
2018-06-02
Thiol separation (Å)
9
Half-sphere exposure sum ?
86
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q5S007
Residue number A
2201
Residue number B
2302
Peptide name
Leucine-rich repeat serine/threonine-protein kinase 2

Ligandability

Cysteine 2201 of Leucine-rich repeat serine/threonine-protein kinase 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 2302 of Leucine-rich repeat serine/threonine-protein kinase 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 Leucine-rich repeat serine/threonine-protein kinase 2 between cysteines 1770 and 1774. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
6vp6
Structure name
cryo-em structure of the c-terminal half of the parkinson's disease- linked protein leucine rich repeat kinase 2 (lrrk2)
Structure deposition date
2020-02-01
Thiol separation (Å)
9
Half-sphere exposure sum ?
84
Minimum pKa ?
11
% buried
100
Peptide accession
Q5S007
Residue number A
1770
Residue number B
1774
Peptide name
Leucine-rich repeat serine/threonine-protein kinase 2

Ligandability

Cysteine 1770 of Leucine-rich repeat serine/threonine-protein kinase 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 1774 of Leucine-rich repeat serine/threonine-protein kinase 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 Leucine-rich repeat serine/threonine-protein kinase 2 between cysteines 2302 and 2319. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
6dlo
Structure name
crystal structure of lrrk2 wd40 domain dimer
Structure deposition date
2018-06-02
Thiol separation (Å)
9
Half-sphere exposure sum ?
87
Minimum pKa ?
10
% buried
82
Peptide accession
Q5S007
Residue number A
2302
Residue number B
2319
Peptide name
Leucine-rich repeat serine/threonine-protein kinase 2

Ligandability

Cysteine 2302 of Leucine-rich repeat serine/threonine-protein kinase 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 2319 of Leucine-rich repeat serine/threonine-protein kinase 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 Leucine-rich repeat serine/threonine-protein kinase 2 between cysteines 696 and 698. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
28
PDB code
7li3
Structure name
structure of the lrrk2 g2019s mutant
Structure deposition date
2021-01-26
Thiol separation (Å)
10
Half-sphere exposure sum ?
73
Minimum pKa ?
12
% buried
92
Peptide accession
Q5S007
Residue number A
696
Residue number B
698
Peptide name
Leucine-rich repeat serine/threonine-protein kinase 2

Ligandability

Cysteine 696 of Leucine-rich repeat serine/threonine-protein kinase 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 698 of Leucine-rich repeat serine/threonine-protein kinase 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 Leucine-rich repeat serine/threonine-protein kinase 2 between cysteines 2247 and 2319. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
24
PDB code
6vp8
Structure name
cryo-em structure of the c-terminal half of the parkinson's disease- linked protein leucine rich repeat kinase 2 (lrrk2)
Structure deposition date
2020-02-01
Thiol separation (Å)
10
Half-sphere exposure sum ?
90
Minimum pKa ?
12
% buried
89
Peptide accession
Q5S007
Residue number A
2247
Residue number B
2319
Peptide name
Leucine-rich repeat serine/threonine-protein kinase 2

Ligandability

Cysteine 2247 of Leucine-rich repeat serine/threonine-protein kinase 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 2319 of Leucine-rich repeat serine/threonine-protein kinase 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.

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