ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Single-stranded DNA cytosine deaminase

Intramolecular
Cysteine 87 and cysteine 90
Cysteine 87 and cysteine 116
Cysteine 30 and cysteine 147
Cysteine 55 and cysteine 90
A redox-regulated disulphide may form within Single-stranded DNA cytosine deaminase between cysteines 87 and 90 (1087 and 1090 respectively in this structure).

Details

Redox score ?
83
PDB code
5w1c
Structure name
crystal structure of mbp fused activation-induced cytidine deaminase (aid) in complex with cytidine
Structure deposition date
2017-06-02
Thiol separation (Å)
3
Half-sphere exposure sum ?
64
Minimum pKa ?
4
% buried
68
Peptide accession
Q9GZX7
Residue number A
87
Residue number B
90
Peptide name
Single-stranded DNA cytosine deaminase

Ligandability

Cysteine 87 of Single-stranded DNA cytosine 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 90 of Single-stranded DNA cytosine 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 Single-stranded DNA cytosine deaminase between cysteines 87 and 116 (1087 and 1116 respectively in this structure).

Details

Redox score ?
69
PDB code
5w0z
Structure name
crystal structure of mbp fused activation-induced cytidine deaminase (aid)
Structure deposition date
2017-06-01
Thiol separation (Å)
7
Half-sphere exposure sum ?
nan
Minimum pKa ?
4
% buried
22
Peptide accession
Q9GZX7
Residue number A
87
Residue number B
116
Peptide name
Single-stranded DNA cytosine deaminase

Ligandability

Cysteine 87 of Single-stranded DNA cytosine 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 116 of Single-stranded DNA cytosine 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 Single-stranded DNA cytosine deaminase between cysteines 30 and 147 (1030 and 1147 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
5w0u
Structure name
crystal structure of mbp fused activation-induced cytidine deaminase (aid) in complex with dcmp
Structure deposition date
2017-05-31
Thiol separation (Å)
5
Half-sphere exposure sum ?
81
Minimum pKa ?
13
% buried
100
Peptide accession
Q9GZX7
Residue number A
30
Residue number B
147
Peptide name
Single-stranded DNA cytosine deaminase

Ligandability

Cysteine 30 of Single-stranded DNA cytosine 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 147 of Single-stranded DNA cytosine 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 Single-stranded DNA cytosine deaminase between cysteines 55 and 90 (1055 and 1090 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
5jj4
Structure name
crystal structure of a variant human activation-induced deoxycytidine deaminase as an mbp fusion protein
Structure deposition date
2016-04-22
Thiol separation (Å)
8
Half-sphere exposure sum ?
46
Minimum pKa ?
8
% buried
28
Peptide accession
Q9GZX7
Residue number A
55
Residue number B
90
Peptide name
Single-stranded DNA cytosine deaminase

Ligandability

Cysteine 55 of Single-stranded DNA cytosine 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 90 of Single-stranded DNA cytosine 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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