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a tool for identifying drug-targetable redox-active disulphides

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Phospholipid-transporting ATPase ABCA7

Intramolecular
Cysteine 267 and cysteine 406
Cysteine 54 and cysteine 81
Cysteine 75 and cysteine 225
Cysteine 1347 and cysteine 1359
Cysteine 1017 and cysteine 1150
Cysteine 536 and cysteine 1347
Cysteine 1988 and cysteine 1992
Cysteine 1822 and cysteine 1992
Cysteine 1017 and cysteine 1018
Cysteine 1018 and cysteine 1019
More...
Cysteine 1345 and cysteine 1359
Cysteine 1018 and cysteine 1150
Cysteine 1345 and cysteine 1347
Cysteine 536 and cysteine 1345
Cysteine 1017 and cysteine 1019
Cysteine 1822 and cysteine 1988
Cysteine 54 and cysteine 536
A redox-regulated disulphide may form within Phospholipid-transporting ATPase ABCA7 between cysteines 267 and 406.

Details

Redox score ?
86
PDB code
8eop
Structure name
cryo-em structure of nanodisc reconstituted human abca7 eq mutant in atp bound closed state
Structure deposition date
2022-10-04
Thiol separation (Å)
2
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8IZY2
Residue number A
267
Residue number B
406
Peptide name
Phospholipid-transporting ATPase ABCA7

Ligandability

Cysteine 267 of Phospholipid-transporting ATPase ABCA7

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 406 of Phospholipid-transporting ATPase ABCA7

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 ABCA7 between cysteines 54 and 81.

Details

Redox score ?
86
PDB code
8eop
Structure name
cryo-em structure of nanodisc reconstituted human abca7 eq mutant in atp bound closed state
Structure deposition date
2022-10-04
Thiol separation (Å)
2
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8IZY2
Residue number A
54
Residue number B
81
Peptide name
Phospholipid-transporting ATPase ABCA7

Ligandability

Cysteine 54 of Phospholipid-transporting ATPase ABCA7

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 ABCA7

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 ABCA7 between cysteines 75 and 225.

Details

Redox score ?
82
PDB code
8eop
Structure name
cryo-em structure of nanodisc reconstituted human abca7 eq mutant in atp bound closed state
Structure deposition date
2022-10-04
Thiol separation (Å)
2
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8IZY2
Residue number A
75
Residue number B
225
Peptide name
Phospholipid-transporting ATPase ABCA7

Ligandability

Cysteine 75 of Phospholipid-transporting ATPase ABCA7

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 225 of Phospholipid-transporting ATPase ABCA7

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 ABCA7 between cysteines 1347 and 1359.

Details

Redox score ?
82
PDB code
8edw
Structure name
cryo-em structure of human abca7 in bpl/ch nanodiscs
Structure deposition date
2022-09-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8IZY2
Residue number A
1347
Residue number B
1359
Peptide name
Phospholipid-transporting ATPase ABCA7

Ligandability

Cysteine 1347 of Phospholipid-transporting ATPase ABCA7

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 1359 of Phospholipid-transporting ATPase ABCA7

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 ABCA7 between cysteines 1017 and 1150.

Details

Redox score ?
78
PDB code
8eeb
Structure name
cryo-em structure of human abca7 in digitonin
Structure deposition date
2022-09-06
Thiol separation (Å)
4
Half-sphere exposure sum ?
nan
Minimum pKa ?
9
% buried
22
Peptide accession
Q8IZY2
Residue number A
1017
Residue number B
1150
Peptide name
Phospholipid-transporting ATPase ABCA7

Ligandability

Cysteine 1017 of Phospholipid-transporting ATPase ABCA7

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 Phospholipid-transporting ATPase ABCA7

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 ABCA7 between cysteines 536 and 1347.

Details

Redox score ?
63
PDB code
8eeb
Structure name
cryo-em structure of human abca7 in digitonin
Structure deposition date
2022-09-06
Thiol separation (Å)
6
Half-sphere exposure sum ?
59
Minimum pKa ?
9
% buried
20
Peptide accession
Q8IZY2
Residue number A
536
Residue number B
1347
Peptide name
Phospholipid-transporting ATPase ABCA7

Ligandability

Cysteine 536 of Phospholipid-transporting ATPase ABCA7

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 1347 of Phospholipid-transporting ATPase ABCA7

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 ABCA7 between cysteines 1988 and 1992.

Details

Redox score ?
61
PDB code
8eop
Structure name
cryo-em structure of nanodisc reconstituted human abca7 eq mutant in atp bound closed state
Structure deposition date
2022-10-04
Thiol separation (Å)
7
Half-sphere exposure sum ?
71
Minimum pKa ?
7
% buried
85
Peptide accession
Q8IZY2
Residue number A
1988
Residue number B
1992
Peptide name
Phospholipid-transporting ATPase ABCA7

Ligandability

Cysteine 1988 of Phospholipid-transporting ATPase ABCA7

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 1992 of Phospholipid-transporting ATPase ABCA7

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 ABCA7 between cysteines 1822 and 1992. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
8edw
Structure name
cryo-em structure of human abca7 in bpl/ch nanodiscs
Structure deposition date
2022-09-06
Thiol separation (Å)
6
Half-sphere exposure sum ?
74
Minimum pKa ?
12
% buried
78
Peptide accession
Q8IZY2
Residue number A
1822
Residue number B
1992
Peptide name
Phospholipid-transporting ATPase ABCA7

Ligandability

Cysteine 1822 of Phospholipid-transporting ATPase ABCA7

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 1992 of Phospholipid-transporting ATPase ABCA7

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 ABCA7 between cysteines 1017 and 1018. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
8eeb
Structure name
cryo-em structure of human abca7 in digitonin
Structure deposition date
2022-09-06
Thiol separation (Å)
7
Half-sphere exposure sum ?
74
Minimum pKa ?
11
% buried
33
Peptide accession
Q8IZY2
Residue number A
1017
Residue number B
1018
Peptide name
Phospholipid-transporting ATPase ABCA7

Ligandability

Cysteine 1017 of Phospholipid-transporting ATPase ABCA7

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 1018 of Phospholipid-transporting ATPase ABCA7

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 ABCA7 between cysteines 1018 and 1019. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
8ee6
Structure name
cryo-em structure of human abca7 in pe/ch nanodiscs
Structure deposition date
2022-09-06
Thiol separation (Å)
7
Half-sphere exposure sum ?
73
Minimum pKa ?
10
% buried
65
Peptide accession
Q8IZY2
Residue number A
1018
Residue number B
1019
Peptide name
Phospholipid-transporting ATPase ABCA7

Ligandability

Cysteine 1018 of Phospholipid-transporting ATPase ABCA7

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 1019 of Phospholipid-transporting ATPase ABCA7

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 ABCA7 between cysteines 1345 and 1359. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
8eop
Structure name
cryo-em structure of nanodisc reconstituted human abca7 eq mutant in atp bound closed state
Structure deposition date
2022-10-04
Thiol separation (Å)
8
Half-sphere exposure sum ?
44
Minimum pKa ?
9
% buried
nan
Peptide accession
Q8IZY2
Residue number A
1345
Residue number B
1359
Peptide name
Phospholipid-transporting ATPase ABCA7

Ligandability

Cysteine 1345 of Phospholipid-transporting ATPase ABCA7

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 1359 of Phospholipid-transporting ATPase ABCA7

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 ABCA7 between cysteines 1018 and 1150. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
8edw
Structure name
cryo-em structure of human abca7 in bpl/ch nanodiscs
Structure deposition date
2022-09-06
Thiol separation (Å)
8
Half-sphere exposure sum ?
55
Minimum pKa ?
11
% buried
nan
Peptide accession
Q8IZY2
Residue number A
1018
Residue number B
1150
Peptide name
Phospholipid-transporting ATPase ABCA7

Ligandability

Cysteine 1018 of Phospholipid-transporting ATPase ABCA7

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 Phospholipid-transporting ATPase ABCA7

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 ABCA7 between cysteines 1345 and 1347. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
8ee6
Structure name
cryo-em structure of human abca7 in pe/ch nanodiscs
Structure deposition date
2022-09-06
Thiol separation (Å)
9
Half-sphere exposure sum ?
43
Minimum pKa ?
9
% buried
nan
Peptide accession
Q8IZY2
Residue number A
1345
Residue number B
1347
Peptide name
Phospholipid-transporting ATPase ABCA7

Ligandability

Cysteine 1345 of Phospholipid-transporting ATPase ABCA7

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 1347 of Phospholipid-transporting ATPase ABCA7

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 ABCA7 between cysteines 536 and 1345. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
8ee6
Structure name
cryo-em structure of human abca7 in pe/ch nanodiscs
Structure deposition date
2022-09-06
Thiol separation (Å)
9
Half-sphere exposure sum ?
53
Minimum pKa ?
9
% buried
38
Peptide accession
Q8IZY2
Residue number A
536
Residue number B
1345
Peptide name
Phospholipid-transporting ATPase ABCA7

Ligandability

Cysteine 536 of Phospholipid-transporting ATPase ABCA7

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 1345 of Phospholipid-transporting ATPase ABCA7

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 ABCA7 between cysteines 1017 and 1019. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
8eop
Structure name
cryo-em structure of nanodisc reconstituted human abca7 eq mutant in atp bound closed state
Structure deposition date
2022-10-04
Thiol separation (Å)
10
Half-sphere exposure sum ?
55
Minimum pKa ?
9
% buried
18
Peptide accession
Q8IZY2
Residue number A
1017
Residue number B
1019
Peptide name
Phospholipid-transporting ATPase ABCA7

Ligandability

Cysteine 1017 of Phospholipid-transporting ATPase ABCA7

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 1019 of Phospholipid-transporting ATPase ABCA7

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 ABCA7 between cysteines 1822 and 1988. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
8edw
Structure name
cryo-em structure of human abca7 in bpl/ch nanodiscs
Structure deposition date
2022-09-06
Thiol separation (Å)
9
Half-sphere exposure sum ?
72
Minimum pKa ?
12
% buried
82
Peptide accession
Q8IZY2
Residue number A
1822
Residue number B
1988
Peptide name
Phospholipid-transporting ATPase ABCA7

Ligandability

Cysteine 1822 of Phospholipid-transporting ATPase ABCA7

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 1988 of Phospholipid-transporting ATPase ABCA7

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 ABCA7 between cysteines 54 and 536. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
8eop
Structure name
cryo-em structure of nanodisc reconstituted human abca7 eq mutant in atp bound closed state
Structure deposition date
2022-10-04
Thiol separation (Å)
9
Half-sphere exposure sum ?
60
Minimum pKa ?
12
% buried
nan
Peptide accession
Q8IZY2
Residue number A
54
Residue number B
536
Peptide name
Phospholipid-transporting ATPase ABCA7

Ligandability

Cysteine 54 of Phospholipid-transporting ATPase ABCA7

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 536 of Phospholipid-transporting ATPase ABCA7

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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