ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Phospholipid-transporting ATPase ABCA3

Intramolecular
Cysteine 1274 and cysteine 1284
Cysteine 1577 and cysteine 1581
Cysteine 1411 and cysteine 1581
Cysteine 743 and cysteine 744 L
Cysteine 1411 and cysteine 1577
Cysteine 406 and cysteine 408
A redox-regulated disulphide may form within Phospholipid-transporting ATPase ABCA3 between cysteines 1274 and 1284.

Details

Redox score ?
86
PDB code
7w02
Structure name
cryo-em structure of atp-bound abca3
Structure deposition date
2021-11-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
49
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q99758
Residue number A
1274
Residue number B
1284
Peptide name
Phospholipid-transporting ATPase ABCA3

Ligandability

Cysteine 1274 of Phospholipid-transporting ATPase ABCA3

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 1284 of Phospholipid-transporting ATPase ABCA3

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 ABCA3 between cysteines 1577 and 1581.

Details

Redox score ?
67
PDB code
7w01
Structure name
cryo-em structure of nucleotide-free abca3
Structure deposition date
2021-11-17
Thiol separation (Å)
5
Half-sphere exposure sum ?
74
Minimum pKa ?
8
% buried
98
Peptide accession
Q99758
Residue number A
1577
Residue number B
1581
Peptide name
Phospholipid-transporting ATPase ABCA3

Ligandability

Cysteine 1577 of Phospholipid-transporting ATPase ABCA3

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 1581 of Phospholipid-transporting ATPase ABCA3

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 ABCA3 between cysteines 1411 and 1581.

Details

Redox score ?
67
PDB code
7w02
Structure name
cryo-em structure of atp-bound abca3
Structure deposition date
2021-11-17
Thiol separation (Å)
4
Half-sphere exposure sum ?
79
Minimum pKa ?
8
% buried
98
Peptide accession
Q99758
Residue number A
1411
Residue number B
1581
Peptide name
Phospholipid-transporting ATPase ABCA3

Ligandability

Cysteine 1411 of Phospholipid-transporting ATPase ABCA3

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 1581 of Phospholipid-transporting ATPase ABCA3

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 ABCA3 between cysteines 743 and 744. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
7w01
Structure name
cryo-em structure of nucleotide-free abca3
Structure deposition date
2021-11-17
Thiol separation (Å)
7
Half-sphere exposure sum ?
76
Minimum pKa ?
11
% buried
82
Peptide accession
Q99758
Residue number A
743
Residue number B
744
Peptide name
Phospholipid-transporting ATPase ABCA3

Ligandability

Cysteine 743 of Phospholipid-transporting ATPase ABCA3

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 744 of Phospholipid-transporting ATPase ABCA3

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.

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 ABCA3 between cysteines 1411 and 1577. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
7w02
Structure name
cryo-em structure of atp-bound abca3
Structure deposition date
2021-11-17
Thiol separation (Å)
8
Half-sphere exposure sum ?
78
Minimum pKa ?
8
% buried
98
Peptide accession
Q99758
Residue number A
1411
Residue number B
1577
Peptide name
Phospholipid-transporting ATPase ABCA3

Ligandability

Cysteine 1411 of Phospholipid-transporting ATPase ABCA3

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 1577 of Phospholipid-transporting ATPase ABCA3

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 ABCA3 between cysteines 406 and 408. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
7w02
Structure name
cryo-em structure of atp-bound abca3
Structure deposition date
2021-11-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
51
Minimum pKa ?
9
% buried
34
Peptide accession
Q99758
Residue number A
406
Residue number B
408
Peptide name
Phospholipid-transporting ATPase ABCA3

Ligandability

Cysteine 406 of Phospholipid-transporting ATPase ABCA3

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 408 of Phospholipid-transporting ATPase ABCA3

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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