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a tool for identifying drug-targetable redox-active disulphides

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Aldehyde oxidase

Intramolecular
Cysteine 117 and cysteine 149
Cysteine 1175 and cysteine 1315
Cysteine 44 and cysteine 49
Cysteine 52 and cysteine 74
Cysteine 114 and cysteine 151
Cysteine 460 and cysteine 472
Cysteine 149 and cysteine 151
Cysteine 44 and cysteine 74
Cysteine 980 and cysteine 1168
Cysteine 460 and cysteine 477
More...
Cysteine 114 and cysteine 149
Cysteine 161 and cysteine 165
Cysteine 114 and cysteine 117
Cysteine 49 and cysteine 52
Cysteine 117 and cysteine 151
Cysteine 976 and cysteine 980
Cysteine 49 and cysteine 74
Cysteine 472 and cysteine 477
Cysteine 600 and cysteine 798
Cysteine 44 and cysteine 52
Cysteine 49 and cysteine 117
Cysteine 600 and cysteine 834
Cysteine 109 and cysteine 161
A redox-regulated disulphide may form within Aldehyde oxidase between cysteines 117 and 149.

Details

Redox score ?
70
PDB code
5epg
Structure name
human aldehyde oxidase snp s1271l
Structure deposition date
2015-11-11
Thiol separation (Å)
3
Half-sphere exposure sum ?
99
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q06278
Residue number A
117
Residue number B
149
Peptide name
Aldehyde oxidase

Ligandability

Cysteine 117 of Aldehyde oxidase

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 149 of Aldehyde oxidase

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 Aldehyde oxidase between cysteines 1175 and 1315.

Details

Redox score ?
70
PDB code
4uhw
Structure name
human aldehyde oxidase
Structure deposition date
2015-03-26
Thiol separation (Å)
4
Half-sphere exposure sum ?
87
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q06278
Residue number A
1175
Residue number B
1315
Peptide name
Aldehyde oxidase

Ligandability

Cysteine 1175 of Aldehyde oxidase

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 1315 of Aldehyde oxidase

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 Aldehyde oxidase between cysteines 44 and 49.

Details

Redox score ?
69
PDB code
6q6q
Structure name
human aldehyde oxidase snp g1269r
Structure deposition date
2018-12-11
Thiol separation (Å)
4
Half-sphere exposure sum ?
83
Minimum pKa ?
6
% buried
100
Peptide accession
Q06278
Residue number A
44
Residue number B
49
Peptide name
Aldehyde oxidase

Ligandability

Cysteine 44 of Aldehyde oxidase

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 49 of Aldehyde oxidase

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 Aldehyde oxidase between cysteines 52 and 74.

Details

Redox score ?
68
PDB code
5epg
Structure name
human aldehyde oxidase snp s1271l
Structure deposition date
2015-11-11
Thiol separation (Å)
3
Half-sphere exposure sum ?
91
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q06278
Residue number A
52
Residue number B
74
Peptide name
Aldehyde oxidase

Ligandability

Cysteine 52 of Aldehyde oxidase

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 74 of Aldehyde oxidase

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 Aldehyde oxidase between cysteines 114 and 151.

Details

Redox score ?
68
PDB code
7orc
Structure name
human aldehyde oxidase in complex with raloxifene
Structure deposition date
2021-06-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
96
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q06278
Residue number A
114
Residue number B
151
Peptide name
Aldehyde oxidase

Ligandability

Cysteine 114 of Aldehyde oxidase

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 151 of Aldehyde oxidase

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 Aldehyde oxidase between cysteines 460 and 472.

Details

Redox score ?
62
PDB code
7opn
Structure name
human aldehyde oxidase snp r1231h in complex with raloxifene
Structure deposition date
2021-06-01
Thiol separation (Å)
5
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q06278
Residue number A
460
Residue number B
472
Peptide name
Aldehyde oxidase

Ligandability

Cysteine 460 of Aldehyde oxidase

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 472 of Aldehyde oxidase

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 Aldehyde oxidase between cysteines 149 and 151. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
59
PDB code
7opn
Structure name
human aldehyde oxidase snp r1231h in complex with raloxifene
Structure deposition date
2021-06-01
Thiol separation (Å)
5
Half-sphere exposure sum ?
97
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q06278
Residue number A
149
Residue number B
151
Peptide name
Aldehyde oxidase

Ligandability

Cysteine 149 of Aldehyde oxidase

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 151 of Aldehyde oxidase

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 Aldehyde oxidase between cysteines 44 and 74. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
59
PDB code
6q6q
Structure name
human aldehyde oxidase snp g1269r
Structure deposition date
2018-12-11
Thiol separation (Å)
6
Half-sphere exposure sum ?
80
Minimum pKa ?
6
% buried
100
Peptide accession
Q06278
Residue number A
44
Residue number B
74
Peptide name
Aldehyde oxidase

Ligandability

Cysteine 44 of Aldehyde oxidase

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 74 of Aldehyde oxidase

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 Aldehyde oxidase between cysteines 980 and 1168. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
7orc
Structure name
human aldehyde oxidase in complex with raloxifene
Structure deposition date
2021-06-05
Thiol separation (Å)
6
Half-sphere exposure sum ?
86
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q06278
Residue number A
980
Residue number B
1168
Peptide name
Aldehyde oxidase

Ligandability

Cysteine 980 of Aldehyde oxidase

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 1168 of Aldehyde oxidase

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 Aldehyde oxidase between cysteines 460 and 477. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
57
PDB code
4uhw
Structure name
human aldehyde oxidase
Structure deposition date
2015-03-26
Thiol separation (Å)
6
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q06278
Residue number A
460
Residue number B
477
Peptide name
Aldehyde oxidase

Ligandability

Cysteine 460 of Aldehyde oxidase

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 477 of Aldehyde oxidase

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 Aldehyde oxidase between cysteines 114 and 149. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
6q6q
Structure name
human aldehyde oxidase snp g1269r
Structure deposition date
2018-12-11
Thiol separation (Å)
6
Half-sphere exposure sum ?
92
Minimum pKa ?
7
% buried
100
Peptide accession
Q06278
Residue number A
114
Residue number B
149
Peptide name
Aldehyde oxidase

Ligandability

Cysteine 114 of Aldehyde oxidase

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 149 of Aldehyde oxidase

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 Aldehyde oxidase between cysteines 161 and 165. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
4uhx
Structure name
human aldehyde oxidase in complex with phthalazine and thioridazine
Structure deposition date
2015-03-26
Thiol separation (Å)
7
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q06278
Residue number A
161
Residue number B
165
Peptide name
Aldehyde oxidase

Ligandability

Cysteine 161 of Aldehyde oxidase

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 165 of Aldehyde oxidase

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 Aldehyde oxidase between cysteines 114 and 117. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
7orc
Structure name
human aldehyde oxidase in complex with raloxifene
Structure deposition date
2021-06-05
Thiol separation (Å)
6
Half-sphere exposure sum ?
96
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q06278
Residue number A
114
Residue number B
117
Peptide name
Aldehyde oxidase

Ligandability

Cysteine 114 of Aldehyde oxidase

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 117 of Aldehyde oxidase

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 Aldehyde oxidase between cysteines 49 and 52. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
7opn
Structure name
human aldehyde oxidase snp r1231h in complex with raloxifene
Structure deposition date
2021-06-01
Thiol separation (Å)
6
Half-sphere exposure sum ?
96
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q06278
Residue number A
49
Residue number B
52
Peptide name
Aldehyde oxidase

Ligandability

Cysteine 49 of Aldehyde oxidase

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 52 of Aldehyde oxidase

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 Aldehyde oxidase between cysteines 117 and 151. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
7orc
Structure name
human aldehyde oxidase in complex with raloxifene
Structure deposition date
2021-06-05
Thiol separation (Å)
7
Half-sphere exposure sum ?
96
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q06278
Residue number A
117
Residue number B
151
Peptide name
Aldehyde oxidase

Ligandability

Cysteine 117 of Aldehyde oxidase

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 151 of Aldehyde oxidase

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 Aldehyde oxidase between cysteines 976 and 980. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
4uhx
Structure name
human aldehyde oxidase in complex with phthalazine and thioridazine
Structure deposition date
2015-03-26
Thiol separation (Å)
8
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q06278
Residue number A
976
Residue number B
980
Peptide name
Aldehyde oxidase

Ligandability

Cysteine 976 of Aldehyde oxidase

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 980 of Aldehyde oxidase

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 Aldehyde oxidase between cysteines 49 and 74. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
7orc
Structure name
human aldehyde oxidase in complex with raloxifene
Structure deposition date
2021-06-05
Thiol separation (Å)
7
Half-sphere exposure sum ?
88
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q06278
Residue number A
49
Residue number B
74
Peptide name
Aldehyde oxidase

Ligandability

Cysteine 49 of Aldehyde oxidase

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 74 of Aldehyde oxidase

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 Aldehyde oxidase between cysteines 472 and 477. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
4uhw
Structure name
human aldehyde oxidase
Structure deposition date
2015-03-26
Thiol separation (Å)
8
Half-sphere exposure sum ?
71
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q06278
Residue number A
472
Residue number B
477
Peptide name
Aldehyde oxidase

Ligandability

Cysteine 472 of Aldehyde oxidase

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 477 of Aldehyde oxidase

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 Aldehyde oxidase between cysteines 600 and 798. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
7orc
Structure name
human aldehyde oxidase in complex with raloxifene
Structure deposition date
2021-06-05
Thiol separation (Å)
9
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q06278
Residue number A
600
Residue number B
798
Peptide name
Aldehyde oxidase

Ligandability

Cysteine 600 of Aldehyde oxidase

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 798 of Aldehyde oxidase

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 Aldehyde oxidase between cysteines 44 and 52. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
5epg
Structure name
human aldehyde oxidase snp s1271l
Structure deposition date
2015-11-11
Thiol separation (Å)
8
Half-sphere exposure sum ?
90
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q06278
Residue number A
44
Residue number B
52
Peptide name
Aldehyde oxidase

Ligandability

Cysteine 44 of Aldehyde oxidase

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 52 of Aldehyde oxidase

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 Aldehyde oxidase between cysteines 49 and 117. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
4uhx
Structure name
human aldehyde oxidase in complex with phthalazine and thioridazine
Structure deposition date
2015-03-26
Thiol separation (Å)
9
Half-sphere exposure sum ?
95
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q06278
Residue number A
49
Residue number B
117
Peptide name
Aldehyde oxidase

Ligandability

Cysteine 49 of Aldehyde oxidase

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 117 of Aldehyde oxidase

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 Aldehyde oxidase between cysteines 600 and 834. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
7opn
Structure name
human aldehyde oxidase snp r1231h in complex with raloxifene
Structure deposition date
2021-06-01
Thiol separation (Å)
10
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q06278
Residue number A
600
Residue number B
834
Peptide name
Aldehyde oxidase

Ligandability

Cysteine 600 of Aldehyde oxidase

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 834 of Aldehyde oxidase

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 Aldehyde oxidase between cysteines 109 and 161. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
6q6q
Structure name
human aldehyde oxidase snp g1269r
Structure deposition date
2018-12-11
Thiol separation (Å)
9
Half-sphere exposure sum ?
84
Minimum pKa ?
13
% buried
94
Peptide accession
Q06278
Residue number A
109
Residue number B
161
Peptide name
Aldehyde oxidase

Ligandability

Cysteine 109 of Aldehyde oxidase

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 161 of Aldehyde oxidase

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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