ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Cystathionine beta-synthase

Intramolecular
Cysteine 272 and cysteine 275
Cysteine 103 and cysteine 370
Cysteine 244 and cysteine 272
Cysteine 244 and cysteine 275
Cysteine 109 and cysteine 346
Cysteine 275 and cysteine 370
Cysteine 244 and cysteine 370
A redox-regulated disulphide may form within Cystathionine beta-synthase between cysteines 272 and 275.

Details

Redox score ?
69
PDB code
4l3v
Structure name
crystal structure of delta516-525 human cystathionine beta-synthase
Structure deposition date
2013-06-07
Thiol separation (Å)
5
Half-sphere exposure sum ?
59
Minimum pKa ?
10
% buried
60
Peptide accession
P35520
Residue number A
272
Residue number B
275
Peptide name
Cystathionine beta-synthase

Ligandability

Cysteine 272 of Cystathionine beta-synthase

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 275 of Cystathionine beta-synthase

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 Cystathionine beta-synthase between cysteines 103 and 370.

Details

Redox score ?
69
PDB code
1m54
Structure name
cystathionine-beta synthase: reduced vicinal thiols
Structure deposition date
2002-07-08
Thiol separation (Å)
5
Half-sphere exposure sum ?
75
Minimum pKa ?
7
% buried
75
Peptide accession
P35520
Residue number A
103
Residue number B
370
Peptide name
Cystathionine beta-synthase

Ligandability

Cysteine 103 of Cystathionine beta-synthase

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 370 of Cystathionine beta-synthase

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 Cystathionine beta-synthase between cysteines 244 and 272. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
4l3v
Structure name
crystal structure of delta516-525 human cystathionine beta-synthase
Structure deposition date
2013-06-07
Thiol separation (Å)
9
Half-sphere exposure sum ?
62
Minimum pKa ?
10
% buried
52
Peptide accession
P35520
Residue number A
244
Residue number B
272
Peptide name
Cystathionine beta-synthase

Ligandability

Cysteine 244 of Cystathionine beta-synthase

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 272 of Cystathionine beta-synthase

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 Cystathionine beta-synthase between cysteines 244 and 275. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
5mms
Structure name
human cystathionine beta-synthase (cbs) p
Structure deposition date
2016-12-12
Thiol separation (Å)
9
Half-sphere exposure sum ?
70
Minimum pKa ?
12
% buried
88
Peptide accession
P35520
Residue number A
244
Residue number B
275
Peptide name
Cystathionine beta-synthase

Ligandability

Cysteine 244 of Cystathionine beta-synthase

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 275 of Cystathionine beta-synthase

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 Cystathionine beta-synthase between cysteines 109 and 346. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
1jbq
Structure name
structure of human cystathionine beta-synthase: a unique pyridoxal 5'- phosphate dependent hemeprotein
Structure deposition date
2001-06-06
Thiol separation (Å)
8
Half-sphere exposure sum ?
92
Minimum pKa ?
13
% buried
100
Peptide accession
P35520
Residue number A
109
Residue number B
346
Peptide name
Cystathionine beta-synthase

Ligandability

Cysteine 109 of Cystathionine beta-synthase

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 346 of Cystathionine beta-synthase

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 Cystathionine beta-synthase between cysteines 275 and 370. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
4pcu
Structure name
crystal structure of delta516-525 e201s human cystathionine beta- synthase with adomet
Structure deposition date
2014-04-16
Thiol separation (Å)
9
Half-sphere exposure sum ?
78
Minimum pKa ?
13
% buried
93
Peptide accession
P35520
Residue number A
275
Residue number B
370
Peptide name
Cystathionine beta-synthase

Ligandability

Cysteine 275 of Cystathionine beta-synthase

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 370 of Cystathionine beta-synthase

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 Cystathionine beta-synthase between cysteines 244 and 370. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
1m54
Structure name
cystathionine-beta synthase: reduced vicinal thiols
Structure deposition date
2002-07-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
80
Minimum pKa ?
11
% buried
90
Peptide accession
P35520
Residue number A
244
Residue number B
370
Peptide name
Cystathionine beta-synthase

Ligandability

Cysteine 244 of Cystathionine beta-synthase

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 370 of Cystathionine beta-synthase

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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