ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Alcohol dehydrogenase class-3

Intramolecular
Cysteine 100 and cysteine 103
Cysteine 100 and cysteine 111
Cysteine 97 and cysteine 100
Cysteine 103 and cysteine 111
Cysteine 97 and cysteine 103
Cysteine 97 and cysteine 111
Cysteine 195 and cysteine 211
Cysteine 45 and cysteine 174
Cysteine 211 and cysteine 268
Cysteine 8 and cysteine 132
Cysteine 195 and cysteine 282
A redox-regulated disulphide may form within Alcohol dehydrogenase class-3 between cysteines 100 and 103.

Details

Redox score ?
92
PDB code
1teh
Structure name
structure of human liver chichi alcohol dehydrogenase (a glutathione- dependent formaldehyde dehydrogenase)
Structure deposition date
1996-02-05
Thiol separation (Å)
3
Half-sphere exposure sum ?
45
Minimum pKa ?
5
% buried
10
Peptide accession
P11766
Residue number A
100
Residue number B
103
Peptide name
Alcohol dehydrogenase class-3

Ligandability

Cysteine 100 of Alcohol dehydrogenase class-3

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 103 of Alcohol dehydrogenase class-3

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 Alcohol dehydrogenase class-3 between cysteines 100 and 111.

Details

Redox score ?
89
PDB code
1teh
Structure name
structure of human liver chichi alcohol dehydrogenase (a glutathione- dependent formaldehyde dehydrogenase)
Structure deposition date
1996-02-05
Thiol separation (Å)
3
Half-sphere exposure sum ?
52
Minimum pKa ?
5
% buried
18
Peptide accession
P11766
Residue number A
100
Residue number B
111
Peptide name
Alcohol dehydrogenase class-3

Ligandability

Cysteine 100 of Alcohol dehydrogenase class-3

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 111 of Alcohol dehydrogenase class-3

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 Alcohol dehydrogenase class-3 between cysteines 97 and 100.

Details

Redox score ?
87
PDB code
1teh
Structure name
structure of human liver chichi alcohol dehydrogenase (a glutathione- dependent formaldehyde dehydrogenase)
Structure deposition date
1996-02-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
48
Minimum pKa ?
5
% buried
4
Peptide accession
P11766
Residue number A
97
Residue number B
100
Peptide name
Alcohol dehydrogenase class-3

Ligandability

Cysteine 97 of Alcohol dehydrogenase class-3

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 100 of Alcohol dehydrogenase class-3

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 Alcohol dehydrogenase class-3 between cysteines 103 and 111.

Details

Redox score ?
85
PDB code
1teh
Structure name
structure of human liver chichi alcohol dehydrogenase (a glutathione- dependent formaldehyde dehydrogenase)
Structure deposition date
1996-02-05
Thiol separation (Å)
3
Half-sphere exposure sum ?
59
Minimum pKa ?
8
% buried
26
Peptide accession
P11766
Residue number A
103
Residue number B
111
Peptide name
Alcohol dehydrogenase class-3

Ligandability

Cysteine 103 of Alcohol dehydrogenase class-3

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 111 of Alcohol dehydrogenase class-3

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 Alcohol dehydrogenase class-3 between cysteines 97 and 103.

Details

Redox score ?
82
PDB code
1teh
Structure name
structure of human liver chichi alcohol dehydrogenase (a glutathione- dependent formaldehyde dehydrogenase)
Structure deposition date
1996-02-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
56
Minimum pKa ?
8
% buried
14
Peptide accession
P11766
Residue number A
97
Residue number B
103
Peptide name
Alcohol dehydrogenase class-3

Ligandability

Cysteine 97 of Alcohol dehydrogenase class-3

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 103 of Alcohol dehydrogenase class-3

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 Alcohol dehydrogenase class-3 between cysteines 97 and 111.

Details

Redox score ?
76
PDB code
1teh
Structure name
structure of human liver chichi alcohol dehydrogenase (a glutathione- dependent formaldehyde dehydrogenase)
Structure deposition date
1996-02-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
62
Minimum pKa ?
10
% buried
25
Peptide accession
P11766
Residue number A
97
Residue number B
111
Peptide name
Alcohol dehydrogenase class-3

Ligandability

Cysteine 97 of Alcohol dehydrogenase class-3

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 111 of Alcohol dehydrogenase class-3

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 Alcohol dehydrogenase class-3 between cysteines 195 and 211 (194 and 210 respectively in this structure).

Details

Redox score ?
66
PDB code
1mc5
Structure name
ternary complex of human glutathione-dependent formaldehyde dehydrogenase with s-(hydroxymethyl)glutathione and nadh
Structure deposition date
2002-08-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
98
Minimum pKa ?
9
% buried
96
Peptide accession
P11766
Residue number A
195
Residue number B
211
Peptide name
Alcohol dehydrogenase class-3

Ligandability

Cysteine 195 of Alcohol dehydrogenase class-3

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 211 of Alcohol dehydrogenase class-3

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 Alcohol dehydrogenase class-3 between cysteines 45 and 174 (46 and 174 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
59
PDB code
1teh
Structure name
structure of human liver chichi alcohol dehydrogenase (a glutathione- dependent formaldehyde dehydrogenase)
Structure deposition date
1996-02-05
Thiol separation (Å)
3
Half-sphere exposure sum ?
85
Minimum pKa ?
16
% buried
nan
Peptide accession
P11766
Residue number A
45
Residue number B
174
Peptide name
Alcohol dehydrogenase class-3

Ligandability

Cysteine 45 of Alcohol dehydrogenase class-3

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 174 of Alcohol dehydrogenase class-3

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 Alcohol dehydrogenase class-3 between cysteines 211 and 268 (210 and 267 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
2fzw
Structure name
structure of the binary complex of the e67l mutant of human glutathione-dependent formaldehyde dehydrogenase with nad(h)
Structure deposition date
2006-02-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
89
Minimum pKa ?
9
% buried
100
Peptide accession
P11766
Residue number A
211
Residue number B
268
Peptide name
Alcohol dehydrogenase class-3

Ligandability

Cysteine 211 of Alcohol dehydrogenase class-3

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 268 of Alcohol dehydrogenase class-3

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 Alcohol dehydrogenase class-3 between cysteines 8 and 132 (7 and 131 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
1m6h
Structure name
human glutathione-dependent formaldehyde dehydrogenase
Structure deposition date
2002-07-16
Thiol separation (Å)
10
Half-sphere exposure sum ?
55
Minimum pKa ?
11
% buried
50
Peptide accession
P11766
Residue number A
8
Residue number B
132
Peptide name
Alcohol dehydrogenase class-3

Ligandability

Cysteine 8 of Alcohol dehydrogenase class-3

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 132 of Alcohol dehydrogenase class-3

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 Alcohol dehydrogenase class-3 between cysteines 195 and 282. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
1teh
Structure name
structure of human liver chichi alcohol dehydrogenase (a glutathione- dependent formaldehyde dehydrogenase)
Structure deposition date
1996-02-05
Thiol separation (Å)
10
Half-sphere exposure sum ?
96
Minimum pKa ?
9
% buried
91
Peptide accession
P11766
Residue number A
195
Residue number B
282
Peptide name
Alcohol dehydrogenase class-3

Ligandability

Cysteine 195 of Alcohol dehydrogenase class-3

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 282 of Alcohol dehydrogenase class-3

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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