ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Prostaglandin G/H synthase 1

Intramolecular
Cysteine 41 and cysteine 57
Cysteine 37 and cysteine 159
Cysteine 569 and cysteine 575
Cysteine 36 and cysteine 47
Cysteine 59 and cysteine 69
Cysteine 41 and cysteine 69
Cysteine 57 and cysteine 69
Cysteine 41 and cysteine 47
Cysteine 41 and cysteine 59
Cysteine 47 and cysteine 57
More...
Cysteine 36 and cysteine 41
Cysteine 57 and cysteine 59
Cysteine 36 and cysteine 57
Cysteine 36 and cysteine 37
Cysteine 36 and cysteine 159
Cysteine 37 and cysteine 47
Cysteine 47 and cysteine 159
Cysteine 47 and cysteine 69
Cysteine 47 and cysteine 59
A redox-regulated disulphide may form within Prostaglandin G/H synthase 1 between cysteines 41 and 57.

Details

Redox score ?
87
PDB code
1u67
Structure name
crystal structure of arachidonic acid bound to a mutant of prostagladin h synthase-1 that forms predominantly 11-hpete
Structure deposition date
2004-07-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05979
Residue number A
41
Residue number B
57
Peptide name
Prostaglandin G/H synthase 1

Ligandability

Cysteine 41 of Prostaglandin G/H synthase 1

Cysteine 57 of Prostaglandin G/H synthase 1

A redox-regulated disulphide may form within Prostaglandin G/H synthase 1 between cysteines 37 and 159.

Details

Redox score ?
87
PDB code
5wbe
Structure name
cox-1:mofezolac complex structure
Structure deposition date
2017-06-28
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05979
Residue number A
37
Residue number B
159
Peptide name
Prostaglandin G/H synthase 1

Ligandability

Cysteine 37 of Prostaglandin G/H synthase 1

Cysteine 159 of Prostaglandin G/H synthase 1

A redox-regulated disulphide may form within Prostaglandin G/H synthase 1 between cysteines 569 and 575.

Details

Redox score ?
85
PDB code
3n8y
Structure name
structure of aspirin acetylated cyclooxygenase-1 in complex with diclofenac
Structure deposition date
2010-05-28
Thiol separation (Å)
2
Half-sphere exposure sum ?
47
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05979
Residue number A
569
Residue number B
575
Peptide name
Prostaglandin G/H synthase 1

Ligandability

Cysteine 569 of Prostaglandin G/H synthase 1

Cysteine 575 of Prostaglandin G/H synthase 1

A redox-regulated disulphide may form within Prostaglandin G/H synthase 1 between cysteines 36 and 47.

Details

Redox score ?
81
PDB code
1prh
Structure name
the x-ray crystal structure of the membrane protein prostaglandin h2 synthase-1
Structure deposition date
1994-03-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05979
Residue number A
36
Residue number B
47
Peptide name
Prostaglandin G/H synthase 1

Ligandability

Cysteine 36 of Prostaglandin G/H synthase 1

Cysteine 47 of Prostaglandin G/H synthase 1

A redox-regulated disulphide may form within Prostaglandin G/H synthase 1 between cysteines 59 and 69.

Details

Redox score ?
79
PDB code
3n8v
Structure name
crystal structure of unoccupied cyclooxygenase-1
Structure deposition date
2010-05-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
58
Minimum pKa ?
9
% buried
26
Peptide accession
P05979
Residue number A
59
Residue number B
69
Peptide name
Prostaglandin G/H synthase 1

Ligandability

Cysteine 59 of Prostaglandin G/H synthase 1

Cysteine 69 of Prostaglandin G/H synthase 1

A redox-regulated disulphide may form within Prostaglandin G/H synthase 1 between cysteines 41 and 69.

Details

Redox score ?
73
PDB code
3n8w
Structure name
crystal structure of r120q/native cyclooxygenase-1 heterodimer mutant in complex with flurbiprofen
Structure deposition date
2010-05-28
Thiol separation (Å)
5
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05979
Residue number A
41
Residue number B
69
Peptide name
Prostaglandin G/H synthase 1

Ligandability

Cysteine 41 of Prostaglandin G/H synthase 1

Cysteine 69 of Prostaglandin G/H synthase 1

A redox-regulated disulphide may form within Prostaglandin G/H synthase 1 between cysteines 57 and 69.

Details

Redox score ?
72
PDB code
3n8v
Structure name
crystal structure of unoccupied cyclooxygenase-1
Structure deposition date
2010-05-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
12
% buried
nan
Peptide accession
P05979
Residue number A
57
Residue number B
69
Peptide name
Prostaglandin G/H synthase 1

Ligandability

Cysteine 57 of Prostaglandin G/H synthase 1

Cysteine 69 of Prostaglandin G/H synthase 1

A redox-regulated disulphide may form within Prostaglandin G/H synthase 1 between cysteines 41 and 47.

Details

Redox score ?
72
PDB code
2oye
Structure name
indomethacin-(r)-alpha-ethyl-ethanolamide bound to cyclooxygenase-1
Structure deposition date
2007-02-21
Thiol separation (Å)
4
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05979
Residue number A
41
Residue number B
47
Peptide name
Prostaglandin G/H synthase 1

Ligandability

Cysteine 41 of Prostaglandin G/H synthase 1

Cysteine 47 of Prostaglandin G/H synthase 1

A redox-regulated disulphide may form within Prostaglandin G/H synthase 1 between cysteines 41 and 59.

Details

Redox score ?
69
PDB code
3n8x
Structure name
crystal structure of cyclooxygenase-1 in complex with nimesulide
Structure deposition date
2010-05-28
Thiol separation (Å)
5
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05979
Residue number A
41
Residue number B
59
Peptide name
Prostaglandin G/H synthase 1

Ligandability

Cysteine 41 of Prostaglandin G/H synthase 1

Cysteine 59 of Prostaglandin G/H synthase 1

A redox-regulated disulphide may form within Prostaglandin G/H synthase 1 between cysteines 47 and 57.

Details

Redox score ?
67
PDB code
3n8v
Structure name
crystal structure of unoccupied cyclooxygenase-1
Structure deposition date
2010-05-28
Thiol separation (Å)
5
Half-sphere exposure sum ?
71
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05979
Residue number A
47
Residue number B
57
Peptide name
Prostaglandin G/H synthase 1

Ligandability

Cysteine 47 of Prostaglandin G/H synthase 1

Cysteine 57 of Prostaglandin G/H synthase 1

A redox-regulated disulphide may form within Prostaglandin G/H synthase 1 between cysteines 36 and 41.

Details

Redox score ?
61
PDB code
1ht8
Structure name
the 2
Structure deposition date
2000-12-29
Thiol separation (Å)
6
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05979
Residue number A
36
Residue number B
41
Peptide name
Prostaglandin G/H synthase 1

Ligandability

Cysteine 36 of Prostaglandin G/H synthase 1

Cysteine 41 of Prostaglandin G/H synthase 1

A redox-regulated disulphide may form within Prostaglandin G/H synthase 1 between cysteines 57 and 59.

Details

Redox score ?
61
PDB code
7jxt
Structure name
ovine cox-1 in complex with the subtype-selective derivative 2a
Structure deposition date
2020-08-27
Thiol separation (Å)
6
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05979
Residue number A
57
Residue number B
59
Peptide name
Prostaglandin G/H synthase 1

Ligandability

Cysteine 57 of Prostaglandin G/H synthase 1

Cysteine 59 of Prostaglandin G/H synthase 1

A redox-regulated disulphide may form within Prostaglandin G/H synthase 1 between cysteines 36 and 57. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
1ebv
Structure name
ovine pghs-1 complexed with salicyl hydroxamic acid
Structure deposition date
2000-01-24
Thiol separation (Å)
7
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05979
Residue number A
36
Residue number B
57
Peptide name
Prostaglandin G/H synthase 1

Ligandability

Cysteine 36 of Prostaglandin G/H synthase 1

Cysteine 57 of Prostaglandin G/H synthase 1

A redox-regulated disulphide may form within Prostaglandin G/H synthase 1 between cysteines 36 and 37. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
3n8y
Structure name
structure of aspirin acetylated cyclooxygenase-1 in complex with diclofenac
Structure deposition date
2010-05-28
Thiol separation (Å)
8
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05979
Residue number A
36
Residue number B
37
Peptide name
Prostaglandin G/H synthase 1

Ligandability

Cysteine 36 of Prostaglandin G/H synthase 1

Cysteine 37 of Prostaglandin G/H synthase 1

A redox-regulated disulphide may form within Prostaglandin G/H synthase 1 between cysteines 36 and 159. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
2oyu
Structure name
indomethacin-(s)-alpha-ethyl-ethanolamide bound to cyclooxygenase-1
Structure deposition date
2007-02-23
Thiol separation (Å)
8
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05979
Residue number A
36
Residue number B
159
Peptide name
Prostaglandin G/H synthase 1

Ligandability

Cysteine 36 of Prostaglandin G/H synthase 1

Cysteine 159 of Prostaglandin G/H synthase 1

A redox-regulated disulphide may form within Prostaglandin G/H synthase 1 between cysteines 37 and 47. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
3n8w
Structure name
crystal structure of r120q/native cyclooxygenase-1 heterodimer mutant in complex with flurbiprofen
Structure deposition date
2010-05-28
Thiol separation (Å)
9
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05979
Residue number A
37
Residue number B
47
Peptide name
Prostaglandin G/H synthase 1

Ligandability

Cysteine 37 of Prostaglandin G/H synthase 1

Cysteine 47 of Prostaglandin G/H synthase 1

A redox-regulated disulphide may form within Prostaglandin G/H synthase 1 between cysteines 47 and 159. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
3n8x
Structure name
crystal structure of cyclooxygenase-1 in complex with nimesulide
Structure deposition date
2010-05-28
Thiol separation (Å)
9
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05979
Residue number A
47
Residue number B
159
Peptide name
Prostaglandin G/H synthase 1

Ligandability

Cysteine 47 of Prostaglandin G/H synthase 1

Cysteine 159 of Prostaglandin G/H synthase 1

A redox-regulated disulphide may form within Prostaglandin G/H synthase 1 between cysteines 47 and 69. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
3n8y
Structure name
structure of aspirin acetylated cyclooxygenase-1 in complex with diclofenac
Structure deposition date
2010-05-28
Thiol separation (Å)
10
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05979
Residue number A
47
Residue number B
69
Peptide name
Prostaglandin G/H synthase 1

Ligandability

Cysteine 47 of Prostaglandin G/H synthase 1

Cysteine 69 of Prostaglandin G/H synthase 1

A redox-regulated disulphide may form within Prostaglandin G/H synthase 1 between cysteines 47 and 59. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
3n8v
Structure name
crystal structure of unoccupied cyclooxygenase-1
Structure deposition date
2010-05-28
Thiol separation (Å)
10
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
P05979
Residue number A
47
Residue number B
59
Peptide name
Prostaglandin G/H synthase 1

Ligandability

Cysteine 47 of Prostaglandin G/H synthase 1

Cysteine 59 of Prostaglandin G/H synthase 1

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