ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Guanylate cyclase soluble subunit alpha-1

Intermolecular
Cysteine 595 and cysteine 434 of Guanylate cyclase soluble subunit beta-1
Intramolecular
Cysteine 455 and cysteine 460
Cysteine 494 and cysteine 497
Cysteine 610 and cysteine 654
Cysteine 79 and cysteine 144
Cysteine 517 and cysteine 533
Cysteine 533 and cysteine 595
A redox-regulated disulphide may form between cysteine 595 of Guanylate cyclase soluble subunit alpha-1 and cysteine 434 of Guanylate cyclase soluble subunit beta-1 (595 and 476 respectively in this structure).

Details

Redox score ?
69
PDB code
3uvj
Structure name
crystal structure of the catalytic domain of the heterodimeric human soluble guanylate cyclase 1
Structure deposition date
2011-11-30
Thiol separation (Å)
4
Half-sphere exposure sum ?
76
Minimum pKa ?
8
% buried
84
Peptide A name
Guanylate cyclase soluble subunit alpha-1
Peptide B name
Guanylate cyclase soluble subunit beta-1
Peptide A accession
Q02108
Peptide B accession
Q02153
Peptide A residue number
595
Peptide B residue number
434

Ligandability

Cysteine 595 of Guanylate cyclase soluble subunit alpha-1

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 434 of Guanylate cyclase soluble subunit beta-1

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.

Uncertain whether structure cysteine 476 has been assigned to correct residue.
A redox-regulated disulphide may form within Guanylate cyclase soluble subunit alpha-1 between cysteines 455 and 460.

Details

Redox score ?
75
PDB code
7d9s
Structure name
structure of huamn soluble guanylate cyclase in the yc1 and no-bound state
Structure deposition date
2020-10-14
Thiol separation (Å)
5
Half-sphere exposure sum ?
43
Minimum pKa ?
9
% buried
10
Peptide accession
Q02108
Residue number A
455
Residue number B
460
Peptide name
Guanylate cyclase soluble subunit alpha-1

Ligandability

Cysteine 455 of Guanylate cyclase soluble subunit alpha-1

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 460 of Guanylate cyclase soluble subunit alpha-1

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 Guanylate cyclase soluble subunit alpha-1 between cysteines 494 and 497. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
3uvj
Structure name
crystal structure of the catalytic domain of the heterodimeric human soluble guanylate cyclase 1
Structure deposition date
2011-11-30
Thiol separation (Å)
9
Half-sphere exposure sum ?
65
Minimum pKa ?
10
% buried
40
Peptide accession
Q02108
Residue number A
494
Residue number B
497
Peptide name
Guanylate cyclase soluble subunit alpha-1

Ligandability

Cysteine 494 of Guanylate cyclase soluble subunit alpha-1

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 497 of Guanylate cyclase soluble subunit alpha-1

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 Guanylate cyclase soluble subunit alpha-1 between cysteines 610 and 654. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
3uvj
Structure name
crystal structure of the catalytic domain of the heterodimeric human soluble guanylate cyclase 1
Structure deposition date
2011-11-30
Thiol separation (Å)
7
Half-sphere exposure sum ?
80
Minimum pKa ?
11
% buried
92
Peptide accession
Q02108
Residue number A
610
Residue number B
654
Peptide name
Guanylate cyclase soluble subunit alpha-1

Ligandability

Cysteine 610 of Guanylate cyclase soluble subunit alpha-1

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 654 of Guanylate cyclase soluble subunit alpha-1

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 Guanylate cyclase soluble subunit alpha-1 between cysteines 79 and 144. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
6jt0
Structure name
structure of human soluble guanylate cyclase in the unliganded state
Structure deposition date
2019-04-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
59
Minimum pKa ?
10
% buried
44
Peptide accession
Q02108
Residue number A
79
Residue number B
144
Peptide name
Guanylate cyclase soluble subunit alpha-1

Ligandability

Cysteine 79 of Guanylate cyclase soluble subunit alpha-1

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 144 of Guanylate cyclase soluble subunit alpha-1

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 Guanylate cyclase soluble subunit alpha-1 between cysteines 517 and 533. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
3uvj
Structure name
crystal structure of the catalytic domain of the heterodimeric human soluble guanylate cyclase 1
Structure deposition date
2011-11-30
Thiol separation (Å)
10
Half-sphere exposure sum ?
70
Minimum pKa ?
11
% buried
86
Peptide accession
Q02108
Residue number A
517
Residue number B
533
Peptide name
Guanylate cyclase soluble subunit alpha-1

Ligandability

Cysteine 517 of Guanylate cyclase soluble subunit alpha-1

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 533 of Guanylate cyclase soluble subunit alpha-1

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 Guanylate cyclase soluble subunit alpha-1 between cysteines 533 and 595. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
6jt2
Structure name
structure of human soluble guanylate cyclase in the no activated state
Structure deposition date
2019-04-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
78
Minimum pKa ?
11
% buried
100
Peptide accession
Q02108
Residue number A
533
Residue number B
595
Peptide name
Guanylate cyclase soluble subunit alpha-1

Ligandability

Cysteine 533 of Guanylate cyclase soluble subunit alpha-1

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 Guanylate cyclase soluble subunit alpha-1

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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