ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Beta-ureidopropionase

Intramolecular
Cysteine 128 and cysteine 128
Cysteine 281 and cysteine 347
Cysteine 116 and cysteine 284
Cysteine 281 and cysteine 284
A redox-regulated disulphide may form within Beta-ureidopropionase between cysteines 128 and 128 (128 and 299 respectively in this structure).

Details

Redox score ?
86
PDB code
6ftq
Structure name
crystal structure of human beta-ureidopropionase (beta-alanine synthase) - mutant t299c
Structure deposition date
2018-02-23
Thiol separation (Å)
2
Half-sphere exposure sum ?
44
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9UBR1
Residue number A
128
Residue number B
128
Peptide name
Beta-ureidopropionase

Ligandability

Cysteine 128 of Beta-ureidopropionase

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 128 of Beta-ureidopropionase

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.

Uncertain whether structure cysteine 299 has been assigned to correct residue.
A redox-regulated disulphide may form within Beta-ureidopropionase between cysteines 281 and 347. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
6ftq
Structure name
crystal structure of human beta-ureidopropionase (beta-alanine synthase) - mutant t299c
Structure deposition date
2018-02-23
Thiol separation (Å)
9
Half-sphere exposure sum ?
85
Minimum pKa ?
10
% buried
80
Peptide accession
Q9UBR1
Residue number A
281
Residue number B
347
Peptide name
Beta-ureidopropionase

Ligandability

Cysteine 281 of Beta-ureidopropionase

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 347 of Beta-ureidopropionase

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 Beta-ureidopropionase between cysteines 116 and 284. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
6ftq
Structure name
crystal structure of human beta-ureidopropionase (beta-alanine synthase) - mutant t299c
Structure deposition date
2018-02-23
Thiol separation (Å)
8
Half-sphere exposure sum ?
107
Minimum pKa ?
13
% buried
100
Peptide accession
Q9UBR1
Residue number A
116
Residue number B
284
Peptide name
Beta-ureidopropionase

Ligandability

Cysteine 116 of Beta-ureidopropionase

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 284 of Beta-ureidopropionase

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 Beta-ureidopropionase between cysteines 281 and 284. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
24
PDB code
6ftq
Structure name
crystal structure of human beta-ureidopropionase (beta-alanine synthase) - mutant t299c
Structure deposition date
2018-02-23
Thiol separation (Å)
9
Half-sphere exposure sum ?
100
Minimum pKa ?
12
% buried
100
Peptide accession
Q9UBR1
Residue number A
281
Residue number B
284
Peptide name
Beta-ureidopropionase

Ligandability

Cysteine 281 of Beta-ureidopropionase

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 284 of Beta-ureidopropionase

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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