ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

Intramolecular
Cysteine 635 and cysteine 674
Cysteine 560 and cysteine 595
Cysteine 404 and cysteine 471 L
Cysteine 875 and cysteine 887
Cysteine 420 and cysteine 498
Cysteine 349 and cysteine 669 L
Cysteine 417 and cysteine 471 L
Cysteine 364 and cysteine 560
Cysteine 524 and cysteine 595
Cysteine 417 and cysteine 420
More...
Cysteine 417 and cysteine 595
Cysteine 447 and cysteine 471 L
Cysteine 417 and cysteine 447 L
A redox-regulated disulphide may form within Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 between cysteines 635 and 674.

Details

Redox score ?
67
PDB code
6hxb
Structure name
serca2a from pig heart
Structure deposition date
2018-10-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
87
Minimum pKa ?
8
% buried
100
Peptide accession
P11607
Residue number A
635
Residue number B
674
Peptide name
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

Ligandability

Cysteine 635 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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 674 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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 Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 between cysteines 560 and 595.

Details

Redox score ?
63
PDB code
6hxb
Structure name
serca2a from pig heart
Structure deposition date
2018-10-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
90
Minimum pKa ?
9
% buried
100
Peptide accession
P11607
Residue number A
560
Residue number B
595
Peptide name
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

Ligandability

Cysteine 560 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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 595 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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 Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 between cysteines 404 and 471. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
7e7s
Structure name
wt transporter state1
Structure deposition date
2021-02-27
Thiol separation (Å)
9
Half-sphere exposure sum ?
62
Minimum pKa ?
10
% buried
46
Peptide accession
P16615
Residue number A
404
Residue number B
471
Peptide name
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

Ligandability

Cysteine 404 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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 471 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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 Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 between cysteines 875 and 887. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
6hxb
Structure name
serca2a from pig heart
Structure deposition date
2018-10-16
Thiol separation (Å)
10
Half-sphere exposure sum ?
45
Minimum pKa ?
10
% buried
11
Peptide accession
P11607
Residue number A
875
Residue number B
887
Peptide name
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

Ligandability

Cysteine 875 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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 887 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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 Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 between cysteines 420 and 498. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
5mpm
Structure name
serca2a from pig heart
Structure deposition date
2016-12-16
Thiol separation (Å)
8
Half-sphere exposure sum ?
79
Minimum pKa ?
12
% buried
87
Peptide accession
P11607
Residue number A
420
Residue number B
498
Peptide name
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

Ligandability

Cysteine 420 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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 498 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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 Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 between cysteines 349 and 669. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
7bt2
Structure name
crystal structure of the serca2a in the e2
Structure deposition date
2020-03-31
Thiol separation (Å)
9
Half-sphere exposure sum ?
86
Minimum pKa ?
12
% buried
86
Peptide accession
P16615
Residue number A
349
Residue number B
669
Peptide name
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

Ligandability

Cysteine 349 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 669 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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.

Ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 between cysteines 417 and 471. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
6ln9
Structure name
cryoem structure of serca2b t1032stop in e2-bef3- state (class2)
Structure deposition date
2019-12-28
Thiol separation (Å)
9
Half-sphere exposure sum ?
77
Minimum pKa ?
11
% buried
87
Peptide accession
P16615
Residue number A
417
Residue number B
471
Peptide name
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

Ligandability

Cysteine 417 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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 471 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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 Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 between cysteines 364 and 560. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
7bt2
Structure name
crystal structure of the serca2a in the e2
Structure deposition date
2020-03-31
Thiol separation (Å)
9
Half-sphere exposure sum ?
84
Minimum pKa ?
11
% buried
87
Peptide accession
P16615
Residue number A
364
Residue number B
560
Peptide name
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

Ligandability

Cysteine 364 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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 560 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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 Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 between cysteines 524 and 595. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
6jju
Structure name
structure of ca2+ atpase
Structure deposition date
2019-02-27
Thiol separation (Å)
9
Half-sphere exposure sum ?
83
Minimum pKa ?
12
% buried
96
Peptide accession
P16615
Residue number A
524
Residue number B
595
Peptide name
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

Ligandability

Cysteine 524 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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 595 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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 Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 between cysteines 417 and 420. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
6jju
Structure name
structure of ca2+ atpase
Structure deposition date
2019-02-27
Thiol separation (Å)
9
Half-sphere exposure sum ?
95
Minimum pKa ?
11
% buried
100
Peptide accession
P16615
Residue number A
417
Residue number B
420
Peptide name
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

Ligandability

Cysteine 417 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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 420 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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 Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 between cysteines 417 and 595. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
6ln5
Structure name
cryoem structure of serca2b t1032stop in e1-2ca2+-amppcp (class1)
Structure deposition date
2019-12-28
Thiol separation (Å)
10
Half-sphere exposure sum ?
98
Minimum pKa ?
9
% buried
100
Peptide accession
P16615
Residue number A
417
Residue number B
595
Peptide name
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

Ligandability

Cysteine 417 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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 595 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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 Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 between cysteines 447 and 471. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
7w7v
Structure name
'late' e2p of serca2b
Structure deposition date
2021-12-06
Thiol separation (Å)
10
Half-sphere exposure sum ?
79
Minimum pKa ?
11
% buried
86
Peptide accession
P16615
Residue number A
447
Residue number B
471
Peptide name
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

Ligandability

Cysteine 447 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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.

Ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 471 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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 Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 between cysteines 417 and 447. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
28
PDB code
6hxb
Structure name
serca2a from pig heart
Structure deposition date
2018-10-16
Thiol separation (Å)
10
Half-sphere exposure sum ?
91
Minimum pKa ?
11
% buried
96
Peptide accession
P11607
Residue number A
417
Residue number B
447
Peptide name
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

Ligandability

Cysteine 417 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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 447 of Sarcoplasmic/endoplasmic reticulum calcium ATPase 2

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.

Ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

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