ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Home
About
List

Phospholipid-transporting ATPase IC

Intramolecular
Cysteine 618 and cysteine 657
Cysteine 655 and cysteine 657
Cysteine 469 and cysteine 470
Cysteine 756 and cysteine 860
Cysteine 534 and cysteine 618
Cysteine 224 and cysteine 306
Cysteine 178 and cysteine 306
Cysteine 618 and cysteine 655
Cysteine 224 and cysteine 298
Cysteine 62 and cysteine 265
More...
Cysteine 865 and cysteine 866
Cysteine 858 and cysteine 860
Cysteine 470 and cysteine 655
Cysteine 534 and cysteine 657
A redox-regulated disulphide may form within Phospholipid-transporting ATPase IC between cysteines 618 and 657.

Details

Redox score ?
60
PDB code
7py4
Structure name
cryo-em structure of atp8b1-cdc50a in e2p autoinhibited state
Structure deposition date
2021-10-08
Thiol separation (Å)
5
Half-sphere exposure sum ?
98
Minimum pKa ?
9
% buried
100
Peptide accession
O43520
Residue number A
618
Residue number B
657
Peptide name
Phospholipid-transporting ATPase IC

Ligandability

Cysteine 618 of Phospholipid-transporting ATPase IC

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 657 of Phospholipid-transporting ATPase IC

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 IC between cysteines 655 and 657. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
59
PDB code
7py4
Structure name
cryo-em structure of atp8b1-cdc50a in e2p autoinhibited state
Structure deposition date
2021-10-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
96
Minimum pKa ?
10
% buried
100
Peptide accession
O43520
Residue number A
655
Residue number B
657
Peptide name
Phospholipid-transporting ATPase IC

Ligandability

Cysteine 655 of Phospholipid-transporting ATPase IC

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 657 of Phospholipid-transporting ATPase IC

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 IC between cysteines 469 and 470. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
7vgj
Structure name
cryo-em structure of the human p4-type flippase atp8b1-cdc50a in the auto-inhibited e2pi-ps state
Structure deposition date
2021-09-16
Thiol separation (Å)
6
Half-sphere exposure sum ?
71
Minimum pKa ?
11
% buried
90
Peptide accession
O43520
Residue number A
469
Residue number B
470
Peptide name
Phospholipid-transporting ATPase IC

Ligandability

Cysteine 469 of Phospholipid-transporting ATPase IC

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 470 of Phospholipid-transporting ATPase IC

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 IC between cysteines 756 and 860. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
7vgh
Structure name
cryo-em structure of the human p4-type flippase atp8b1-cdc50b in the auto-inhibited e2p state
Structure deposition date
2021-09-16
Thiol separation (Å)
7
Half-sphere exposure sum ?
57
Minimum pKa ?
10
% buried
54
Peptide accession
O43520
Residue number A
756
Residue number B
860
Peptide name
Phospholipid-transporting ATPase IC

Ligandability

Cysteine 756 of Phospholipid-transporting ATPase IC

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 860 of Phospholipid-transporting ATPase IC

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 IC between cysteines 534 and 618. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
7py4
Structure name
cryo-em structure of atp8b1-cdc50a in e2p autoinhibited state
Structure deposition date
2021-10-08
Thiol separation (Å)
7
Half-sphere exposure sum ?
91
Minimum pKa ?
9
% buried
100
Peptide accession
O43520
Residue number A
534
Residue number B
618
Peptide name
Phospholipid-transporting ATPase IC

Ligandability

Cysteine 534 of Phospholipid-transporting ATPase IC

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 618 of Phospholipid-transporting ATPase IC

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 IC between cysteines 224 and 306. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
7vgj
Structure name
cryo-em structure of the human p4-type flippase atp8b1-cdc50a in the auto-inhibited e2pi-ps state
Structure deposition date
2021-09-16
Thiol separation (Å)
7
Half-sphere exposure sum ?
83
Minimum pKa ?
11
% buried
92
Peptide accession
O43520
Residue number A
224
Residue number B
306
Peptide name
Phospholipid-transporting ATPase IC

Ligandability

Cysteine 224 of Phospholipid-transporting ATPase IC

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 306 of Phospholipid-transporting ATPase IC

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 IC between cysteines 178 and 306. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
7vgj
Structure name
cryo-em structure of the human p4-type flippase atp8b1-cdc50a in the auto-inhibited e2pi-ps state
Structure deposition date
2021-09-16
Thiol separation (Å)
8
Half-sphere exposure sum ?
74
Minimum pKa ?
10
% buried
90
Peptide accession
O43520
Residue number A
178
Residue number B
306
Peptide name
Phospholipid-transporting ATPase IC

Ligandability

Cysteine 178 of Phospholipid-transporting ATPase IC

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 306 of Phospholipid-transporting ATPase IC

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 IC between cysteines 618 and 655. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
7py4
Structure name
cryo-em structure of atp8b1-cdc50a in e2p autoinhibited state
Structure deposition date
2021-10-08
Thiol separation (Å)
8
Half-sphere exposure sum ?
98
Minimum pKa ?
9
% buried
100
Peptide accession
O43520
Residue number A
618
Residue number B
655
Peptide name
Phospholipid-transporting ATPase IC

Ligandability

Cysteine 618 of Phospholipid-transporting ATPase IC

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 655 of Phospholipid-transporting ATPase IC

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 IC between cysteines 224 and 298. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
7py4
Structure name
cryo-em structure of atp8b1-cdc50a in e2p autoinhibited state
Structure deposition date
2021-10-08
Thiol separation (Å)
9
Half-sphere exposure sum ?
83
Minimum pKa ?
9
% buried
100
Peptide accession
O43520
Residue number A
224
Residue number B
298
Peptide name
Phospholipid-transporting ATPase IC

Ligandability

Cysteine 224 of Phospholipid-transporting ATPase IC

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 298 of Phospholipid-transporting ATPase IC

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 IC between cysteines 62 and 265. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
7vgh
Structure name
cryo-em structure of the human p4-type flippase atp8b1-cdc50b in the auto-inhibited e2p state
Structure deposition date
2021-09-16
Thiol separation (Å)
10
Half-sphere exposure sum ?
45
Minimum pKa ?
10
% buried
40
Peptide accession
O43520
Residue number A
62
Residue number B
265
Peptide name
Phospholipid-transporting ATPase IC

Ligandability

Cysteine 62 of Phospholipid-transporting ATPase IC

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 265 of Phospholipid-transporting ATPase IC

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 IC between cysteines 865 and 866. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
7vgj
Structure name
cryo-em structure of the human p4-type flippase atp8b1-cdc50a in the auto-inhibited e2pi-ps state
Structure deposition date
2021-09-16
Thiol separation (Å)
8
Half-sphere exposure sum ?
83
Minimum pKa ?
10
% buried
80
Peptide accession
O43520
Residue number A
865
Residue number B
866
Peptide name
Phospholipid-transporting ATPase IC

Ligandability

Cysteine 865 of Phospholipid-transporting ATPase IC

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 866 of Phospholipid-transporting ATPase IC

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 IC between cysteines 858 and 860. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
7py4
Structure name
cryo-em structure of atp8b1-cdc50a in e2p autoinhibited state
Structure deposition date
2021-10-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
63
Minimum pKa ?
10
% buried
66
Peptide accession
O43520
Residue number A
858
Residue number B
860
Peptide name
Phospholipid-transporting ATPase IC

Ligandability

Cysteine 858 of Phospholipid-transporting ATPase IC

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 860 of Phospholipid-transporting ATPase IC

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 IC between cysteines 470 and 655. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
7vgj
Structure name
cryo-em structure of the human p4-type flippase atp8b1-cdc50a in the auto-inhibited e2pi-ps state
Structure deposition date
2021-09-16
Thiol separation (Å)
9
Half-sphere exposure sum ?
76
Minimum pKa ?
11
% buried
83
Peptide accession
O43520
Residue number A
470
Residue number B
655
Peptide name
Phospholipid-transporting ATPase IC

Ligandability

Cysteine 470 of Phospholipid-transporting ATPase IC

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 655 of Phospholipid-transporting ATPase IC

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 IC between cysteines 534 and 657. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
7vgh
Structure name
cryo-em structure of the human p4-type flippase atp8b1-cdc50b in the auto-inhibited e2p state
Structure deposition date
2021-09-16
Thiol separation (Å)
9
Half-sphere exposure sum ?
82
Minimum pKa ?
11
% buried
100
Peptide accession
O43520
Residue number A
534
Residue number B
657
Peptide name
Phospholipid-transporting ATPase IC

Ligandability

Cysteine 534 of Phospholipid-transporting ATPase IC

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 657 of Phospholipid-transporting ATPase IC

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.

If this tool was useful for finding a disulphide, please cite: