ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Deoxycytidylate deaminase

Intramolecular
Cysteine 110 and cysteine 113
Cysteine 60 and cysteine 83
Cysteine 83 and cysteine 113
A redox-regulated disulphide may form within Deoxycytidylate deaminase between cysteines 110 and 113.

Details

Redox score ?
86
PDB code
2w4l
Structure name
human dcmp deaminase
Structure deposition date
2008-11-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
69
Minimum pKa ?
0
% buried
98
Peptide accession
P32321
Residue number A
110
Residue number B
113
Peptide name
Deoxycytidylate deaminase

Ligandability

Cysteine 110 of Deoxycytidylate deaminase

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 113 of Deoxycytidylate deaminase

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 Deoxycytidylate deaminase between cysteines 60 and 83. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
2w4l
Structure name
human dcmp deaminase
Structure deposition date
2008-11-28
Thiol separation (Å)
8
Half-sphere exposure sum ?
68
Minimum pKa ?
11
% buried
76
Peptide accession
P32321
Residue number A
60
Residue number B
83
Peptide name
Deoxycytidylate deaminase

Ligandability

Cysteine 60 of Deoxycytidylate deaminase

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 83 of Deoxycytidylate deaminase

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 Deoxycytidylate deaminase between cysteines 83 and 113. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
2w4l
Structure name
human dcmp deaminase
Structure deposition date
2008-11-28
Thiol separation (Å)
10
Half-sphere exposure sum ?
79
Minimum pKa ?
12
% buried
96
Peptide accession
P32321
Residue number A
83
Residue number B
113
Peptide name
Deoxycytidylate deaminase

Ligandability

Cysteine 83 of Deoxycytidylate deaminase

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 113 of Deoxycytidylate deaminase

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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