ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Dehydrogenase/reductase SDR family member 1

Intramolecular
Cysteine 28 and cysteine 58 L
Cysteine 177 and cysteine 188 L
Cysteine 63 and cysteine 130 L
Cysteine 235 and cysteine 256 L
Cysteine 10 and cysteine 28 L
A redox-regulated disulphide may form within Dehydrogenase/reductase SDR family member 1 between cysteines 28 and 58.

Details

Redox score ?
72
PDB code
2qq5
Structure name
crystal structure of human sdr family member 1
Structure deposition date
2007-07-26
Thiol separation (Å)
4
Half-sphere exposure sum ?
81
Minimum pKa ?
8
% buried
70
Peptide accession
Q96LJ7
Residue number A
28
Residue number B
58
Peptide name
Dehydrogenase/reductase SDR family member 1

Ligandability

Cysteine 28 of Dehydrogenase/reductase SDR family member 1

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 58 of Dehydrogenase/reductase SDR family member 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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Dehydrogenase/reductase SDR family member 1 between cysteines 177 and 188. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
57
PDB code
2qq5
Structure name
crystal structure of human sdr family member 1
Structure deposition date
2007-07-26
Thiol separation (Å)
5
Half-sphere exposure sum ?
83
Minimum pKa ?
11
% buried
78
Peptide accession
Q96LJ7
Residue number A
177
Residue number B
188
Peptide name
Dehydrogenase/reductase SDR family member 1

Ligandability

Cysteine 177 of Dehydrogenase/reductase SDR family member 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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 188 of Dehydrogenase/reductase SDR family member 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 Dehydrogenase/reductase SDR family member 1 between cysteines 63 and 130. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
2qq5
Structure name
crystal structure of human sdr family member 1
Structure deposition date
2007-07-26
Thiol separation (Å)
6
Half-sphere exposure sum ?
78
Minimum pKa ?
12
% buried
84
Peptide accession
Q96LJ7
Residue number A
63
Residue number B
130
Peptide name
Dehydrogenase/reductase SDR family member 1

Ligandability

Cysteine 63 of Dehydrogenase/reductase SDR family member 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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 130 of Dehydrogenase/reductase SDR family member 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 Dehydrogenase/reductase SDR family member 1 between cysteines 235 and 256. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
2qq5
Structure name
crystal structure of human sdr family member 1
Structure deposition date
2007-07-26
Thiol separation (Å)
8
Half-sphere exposure sum ?
62
Minimum pKa ?
9
% buried
28
Peptide accession
Q96LJ7
Residue number A
235
Residue number B
256
Peptide name
Dehydrogenase/reductase SDR family member 1

Ligandability

Cysteine 235 of Dehydrogenase/reductase SDR family member 1

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 256 of Dehydrogenase/reductase SDR family member 1

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.

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.

A redox-regulated disulphide may form within Dehydrogenase/reductase SDR family member 1 between cysteines 10 and 28. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
2qq5
Structure name
crystal structure of human sdr family member 1
Structure deposition date
2007-07-26
Thiol separation (Å)
8
Half-sphere exposure sum ?
91
Minimum pKa ?
13
% buried
85
Peptide accession
Q96LJ7
Residue number A
10
Residue number B
28
Peptide name
Dehydrogenase/reductase SDR family member 1

Ligandability

Cysteine 10 of Dehydrogenase/reductase SDR family member 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 28 of Dehydrogenase/reductase SDR family member 1

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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