ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Phospholipid-transporting ATPase ABCA1

Intramolecular
Cysteine 355 and cysteine 504
Cysteine 54 and cysteine 81
Cysteine 75 and cysteine 309
Cysteine 1465 and cysteine 1477
Cysteine 887 and cysteine 1111
Cysteine 887 and cysteine 1110
Cysteine 1110 and cysteine 1111
Cysteine 2107 and cysteine 2111
Cysteine 1359 and cysteine 1723
Cysteine 626 and cysteine 1465
More...
Cysteine 54 and cysteine 626
Cysteine 1359 and cysteine 1660
Cysteine 626 and cysteine 1477
A redox-regulated disulphide may form within Phospholipid-transporting ATPase ABCA1 between cysteines 355 and 504.

Details

Redox score ?
85
PDB code
7roq
Structure name
alternative structure of human abca1
Structure deposition date
2021-08-01
Thiol separation (Å)
2
Half-sphere exposure sum ?
45
Minimum pKa ?
nan
% buried
nan
Peptide accession
O95477
Residue number A
355
Residue number B
504
Peptide name
Phospholipid-transporting ATPase ABCA1

Ligandability

Cysteine 355 of Phospholipid-transporting ATPase ABCA1

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 504 of Phospholipid-transporting ATPase ABCA1

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 Phospholipid-transporting ATPase ABCA1 between cysteines 54 and 81.

Details

Redox score ?
84
PDB code
7roq
Structure name
alternative structure of human abca1
Structure deposition date
2021-08-01
Thiol separation (Å)
2
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
O95477
Residue number A
54
Residue number B
81
Peptide name
Phospholipid-transporting ATPase ABCA1

Ligandability

Cysteine 54 of Phospholipid-transporting ATPase ABCA1

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 Phospholipid-transporting ATPase ABCA1

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 Phospholipid-transporting ATPase ABCA1 between cysteines 75 and 309.

Details

Redox score ?
81
PDB code
7roq
Structure name
alternative structure of human abca1
Structure deposition date
2021-08-01
Thiol separation (Å)
2
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
O95477
Residue number A
75
Residue number B
309
Peptide name
Phospholipid-transporting ATPase ABCA1

Ligandability

Cysteine 75 of Phospholipid-transporting ATPase ABCA1

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 309 of Phospholipid-transporting ATPase ABCA1

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 Phospholipid-transporting ATPase ABCA1 between cysteines 1465 and 1477.

Details

Redox score ?
80
PDB code
5xjy
Structure name
cryo-em structure of human abca1
Structure deposition date
2017-05-04
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
O95477
Residue number A
1465
Residue number B
1477
Peptide name
Phospholipid-transporting ATPase ABCA1

Ligandability

Cysteine 1465 of Phospholipid-transporting ATPase ABCA1

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 1477 of Phospholipid-transporting ATPase ABCA1

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 Phospholipid-transporting ATPase ABCA1 between cysteines 887 and 1111.

Details

Redox score ?
67
PDB code
7roq
Structure name
alternative structure of human abca1
Structure deposition date
2021-08-01
Thiol separation (Å)
6
Half-sphere exposure sum ?
57
Minimum pKa ?
10
% buried
32
Peptide accession
O95477
Residue number A
887
Residue number B
1111
Peptide name
Phospholipid-transporting ATPase ABCA1

Ligandability

Cysteine 887 of Phospholipid-transporting ATPase ABCA1

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 1111 of Phospholipid-transporting ATPase ABCA1

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 Phospholipid-transporting ATPase ABCA1 between cysteines 887 and 1110.

Details

Redox score ?
66
PDB code
7roq
Structure name
alternative structure of human abca1
Structure deposition date
2021-08-01
Thiol separation (Å)
6
Half-sphere exposure sum ?
51
Minimum pKa ?
9
% buried
13
Peptide accession
O95477
Residue number A
887
Residue number B
1110
Peptide name
Phospholipid-transporting ATPase ABCA1

Ligandability

Cysteine 887 of Phospholipid-transporting ATPase ABCA1

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 1110 of Phospholipid-transporting ATPase ABCA1

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 Phospholipid-transporting ATPase ABCA1 between cysteines 1110 and 1111.

Details

Redox score ?
65
PDB code
7roq
Structure name
alternative structure of human abca1
Structure deposition date
2021-08-01
Thiol separation (Å)
5
Half-sphere exposure sum ?
62
Minimum pKa ?
9
% buried
38
Peptide accession
O95477
Residue number A
1110
Residue number B
1111
Peptide name
Phospholipid-transporting ATPase ABCA1

Ligandability

Cysteine 1110 of Phospholipid-transporting ATPase ABCA1

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 1111 of Phospholipid-transporting ATPase ABCA1

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 Phospholipid-transporting ATPase ABCA1 between cysteines 2107 and 2111. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
59
PDB code
7roq
Structure name
alternative structure of human abca1
Structure deposition date
2021-08-01
Thiol separation (Å)
6
Half-sphere exposure sum ?
57
Minimum pKa ?
10
% buried
42
Peptide accession
O95477
Residue number A
2107
Residue number B
2111
Peptide name
Phospholipid-transporting ATPase ABCA1

Ligandability

Cysteine 2107 of Phospholipid-transporting ATPase ABCA1

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 2111 of Phospholipid-transporting ATPase ABCA1

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 Phospholipid-transporting ATPase ABCA1 between cysteines 1359 and 1723. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
5xjy
Structure name
cryo-em structure of human abca1
Structure deposition date
2017-05-04
Thiol separation (Å)
10
Half-sphere exposure sum ?
45
Minimum pKa ?
9
% buried
8
Peptide accession
O95477
Residue number A
1359
Residue number B
1723
Peptide name
Phospholipid-transporting ATPase ABCA1

Ligandability

Cysteine 1359 of Phospholipid-transporting ATPase ABCA1

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 1723 of Phospholipid-transporting ATPase ABCA1

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 Phospholipid-transporting ATPase ABCA1 between cysteines 626 and 1465. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
5xjy
Structure name
cryo-em structure of human abca1
Structure deposition date
2017-05-04
Thiol separation (Å)
8
Half-sphere exposure sum ?
59
Minimum pKa ?
12
% buried
nan
Peptide accession
O95477
Residue number A
626
Residue number B
1465
Peptide name
Phospholipid-transporting ATPase ABCA1

Ligandability

Cysteine 626 of Phospholipid-transporting ATPase ABCA1

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 1465 of Phospholipid-transporting ATPase ABCA1

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 Phospholipid-transporting ATPase ABCA1 between cysteines 54 and 626. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
7roq
Structure name
alternative structure of human abca1
Structure deposition date
2021-08-01
Thiol separation (Å)
9
Half-sphere exposure sum ?
64
Minimum pKa ?
10
% buried
nan
Peptide accession
O95477
Residue number A
54
Residue number B
626
Peptide name
Phospholipid-transporting ATPase ABCA1

Ligandability

Cysteine 54 of Phospholipid-transporting ATPase ABCA1

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 626 of Phospholipid-transporting ATPase ABCA1

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 Phospholipid-transporting ATPase ABCA1 between cysteines 1359 and 1660. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
5xjy
Structure name
cryo-em structure of human abca1
Structure deposition date
2017-05-04
Thiol separation (Å)
10
Half-sphere exposure sum ?
62
Minimum pKa ?
10
% buried
38
Peptide accession
O95477
Residue number A
1359
Residue number B
1660
Peptide name
Phospholipid-transporting ATPase ABCA1

Ligandability

Cysteine 1359 of Phospholipid-transporting ATPase ABCA1

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 1660 of Phospholipid-transporting ATPase ABCA1

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 Phospholipid-transporting ATPase ABCA1 between cysteines 626 and 1477. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
5xjy
Structure name
cryo-em structure of human abca1
Structure deposition date
2017-05-04
Thiol separation (Å)
10
Half-sphere exposure sum ?
66
Minimum pKa ?
12
% buried
nan
Peptide accession
O95477
Residue number A
626
Residue number B
1477
Peptide name
Phospholipid-transporting ATPase ABCA1

Ligandability

Cysteine 626 of Phospholipid-transporting ATPase ABCA1

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 1477 of Phospholipid-transporting ATPase ABCA1

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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