ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Retinal-specific phospholipid-transporting ATPase ABCA4

Intramolecular
Cysteine 1488 and cysteine 1502
Cysteine 1444 and cysteine 1455
Cysteine 370 and cysteine 519
Cysteine 75 and cysteine 324
Cysteine 641 and cysteine 1490
Cysteine 54 and cysteine 81
Cysteine 941 and cysteine 2066
Cysteine 2133 and cysteine 2137
Cysteine 1488 and cysteine 1490
Cysteine 1339 and cysteine 2088
More...
Cysteine 641 and cysteine 1502
Cysteine 1140 and cysteine 1150
Cysteine 641 and cysteine 1488
Cysteine 1490 and cysteine 1502
Cysteine 1967 and cysteine 2137
Cysteine 1967 and cysteine 2133
Cysteine 54 and cysteine 641
A redox-regulated disulphide may form within Retinal-specific phospholipid-transporting ATPase ABCA4 between cysteines 1488 and 1502.

Details

Redox score ?
89
PDB code
7lkp
Structure name
structure of atp-free human abca4
Structure deposition date
2021-02-02
Thiol separation (Å)
2
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
P78363
Residue number A
1488
Residue number B
1502
Peptide name
Retinal-specific phospholipid-transporting ATPase ABCA4

Ligandability

Cysteine 1488 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 1502 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 Retinal-specific phospholipid-transporting ATPase ABCA4 between cysteines 1444 and 1455.

Details

Redox score ?
86
PDB code
7e7q
Structure name
cryo-em structure of human abca4 in atp-bound state
Structure deposition date
2021-02-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
54
Minimum pKa ?
nan
% buried
nan
Peptide accession
P78363
Residue number A
1444
Residue number B
1455
Peptide name
Retinal-specific phospholipid-transporting ATPase ABCA4

Ligandability

Cysteine 1444 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 1455 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 Retinal-specific phospholipid-transporting ATPase ABCA4 between cysteines 370 and 519.

Details

Redox score ?
85
PDB code
7m1q
Structure name
human abca4 structure in complex with n-ret-pe
Structure deposition date
2021-03-14
Thiol separation (Å)
2
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
P78363
Residue number A
370
Residue number B
519
Peptide name
Retinal-specific phospholipid-transporting ATPase ABCA4

Ligandability

Cysteine 370 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 519 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 Retinal-specific phospholipid-transporting ATPase ABCA4 between cysteines 75 and 324.

Details

Redox score ?
83
PDB code
7e7i
Structure name
cryo-em structure of human abca4 in the apo state
Structure deposition date
2021-02-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
P78363
Residue number A
75
Residue number B
324
Peptide name
Retinal-specific phospholipid-transporting ATPase ABCA4

Ligandability

Cysteine 75 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 324 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 Retinal-specific phospholipid-transporting ATPase ABCA4 between cysteines 641 and 1490.

Details

Redox score ?
82
PDB code
7e7i
Structure name
cryo-em structure of human abca4 in the apo state
Structure deposition date
2021-02-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
P78363
Residue number A
641
Residue number B
1490
Peptide name
Retinal-specific phospholipid-transporting ATPase ABCA4

Ligandability

Cysteine 641 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 1490 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 Retinal-specific phospholipid-transporting ATPase ABCA4 between cysteines 54 and 81.

Details

Redox score ?
82
PDB code
7lkz
Structure name
structure of atp-bound human abca4
Structure deposition date
2021-02-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
P78363
Residue number A
54
Residue number B
81
Peptide name
Retinal-specific phospholipid-transporting ATPase ABCA4

Ligandability

Cysteine 54 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 81 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 Retinal-specific phospholipid-transporting ATPase ABCA4 between cysteines 941 and 2066.

Details

Redox score ?
71
PDB code
7e7q
Structure name
cryo-em structure of human abca4 in atp-bound state
Structure deposition date
2021-02-26
Thiol separation (Å)
5
Half-sphere exposure sum ?
45
Minimum pKa ?
10
% buried
26
Peptide accession
P78363
Residue number A
941
Residue number B
2066
Peptide name
Retinal-specific phospholipid-transporting ATPase ABCA4

Ligandability

Cysteine 941 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 2066 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 Retinal-specific phospholipid-transporting ATPase ABCA4 between cysteines 2133 and 2137.

Details

Redox score ?
64
PDB code
7lkp
Structure name
structure of atp-free human abca4
Structure deposition date
2021-02-02
Thiol separation (Å)
4
Half-sphere exposure sum ?
75
Minimum pKa ?
10
% buried
100
Peptide accession
P78363
Residue number A
2133
Residue number B
2137
Peptide name
Retinal-specific phospholipid-transporting ATPase ABCA4

Ligandability

Cysteine 2133 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 2137 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 Retinal-specific phospholipid-transporting ATPase ABCA4 between cysteines 1488 and 1490. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
60
PDB code
7lkz
Structure name
structure of atp-bound human abca4
Structure deposition date
2021-02-03
Thiol separation (Å)
7
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
P78363
Residue number A
1488
Residue number B
1490
Peptide name
Retinal-specific phospholipid-transporting ATPase ABCA4

Ligandability

Cysteine 1488 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 1490 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 Retinal-specific phospholipid-transporting ATPase ABCA4 between cysteines 1339 and 2088. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
7e7q
Structure name
cryo-em structure of human abca4 in atp-bound state
Structure deposition date
2021-02-26
Thiol separation (Å)
7
Half-sphere exposure sum ?
55
Minimum pKa ?
10
% buried
24
Peptide accession
P78363
Residue number A
1339
Residue number B
2088
Peptide name
Retinal-specific phospholipid-transporting ATPase ABCA4

Ligandability

Cysteine 1339 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 2088 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 Retinal-specific phospholipid-transporting ATPase ABCA4 between cysteines 641 and 1502. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
7m1p
Structure name
human abca4 structure in the unbound state
Structure deposition date
2021-03-14
Thiol separation (Å)
7
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
P78363
Residue number A
641
Residue number B
1502
Peptide name
Retinal-specific phospholipid-transporting ATPase ABCA4

Ligandability

Cysteine 641 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 1502 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 Retinal-specific phospholipid-transporting ATPase ABCA4 between cysteines 1140 and 1150. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
7e7o
Structure name
cryo-em structure of human abca4 in nrpe-bound state
Structure deposition date
2021-02-26
Thiol separation (Å)
8
Half-sphere exposure sum ?
57
Minimum pKa ?
10
% buried
28
Peptide accession
P78363
Residue number A
1140
Residue number B
1150
Peptide name
Retinal-specific phospholipid-transporting ATPase ABCA4

Ligandability

Cysteine 1140 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 1150 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 Retinal-specific phospholipid-transporting ATPase ABCA4 between cysteines 641 and 1488. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
7e7q
Structure name
cryo-em structure of human abca4 in atp-bound state
Structure deposition date
2021-02-26
Thiol separation (Å)
8
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
P78363
Residue number A
641
Residue number B
1488
Peptide name
Retinal-specific phospholipid-transporting ATPase ABCA4

Ligandability

Cysteine 641 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 1488 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 Retinal-specific phospholipid-transporting ATPase ABCA4 between cysteines 1490 and 1502. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
7m1p
Structure name
human abca4 structure in the unbound state
Structure deposition date
2021-03-14
Thiol separation (Å)
8
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
P78363
Residue number A
1490
Residue number B
1502
Peptide name
Retinal-specific phospholipid-transporting ATPase ABCA4

Ligandability

Cysteine 1490 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 1502 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 Retinal-specific phospholipid-transporting ATPase ABCA4 between cysteines 1967 and 2137. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
7m1p
Structure name
human abca4 structure in the unbound state
Structure deposition date
2021-03-14
Thiol separation (Å)
6
Half-sphere exposure sum ?
89
Minimum pKa ?
11
% buried
75
Peptide accession
P78363
Residue number A
1967
Residue number B
2137
Peptide name
Retinal-specific phospholipid-transporting ATPase ABCA4

Ligandability

Cysteine 1967 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 2137 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 Retinal-specific phospholipid-transporting ATPase ABCA4 between cysteines 1967 and 2133. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
7lkp
Structure name
structure of atp-free human abca4
Structure deposition date
2021-02-02
Thiol separation (Å)
7
Half-sphere exposure sum ?
82
Minimum pKa ?
13
% buried
100
Peptide accession
P78363
Residue number A
1967
Residue number B
2133
Peptide name
Retinal-specific phospholipid-transporting ATPase ABCA4

Ligandability

Cysteine 1967 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 2133 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 Retinal-specific phospholipid-transporting ATPase ABCA4 between cysteines 54 and 641. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
7e7o
Structure name
cryo-em structure of human abca4 in nrpe-bound state
Structure deposition date
2021-02-26
Thiol separation (Å)
10
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
P78363
Residue number A
54
Residue number B
641
Peptide name
Retinal-specific phospholipid-transporting ATPase ABCA4

Ligandability

Cysteine 54 of Retinal-specific phospholipid-transporting ATPase ABCA4

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 641 of Retinal-specific phospholipid-transporting ATPase ABCA4

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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