ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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5'-nucleotidase

Intramolecular
Cysteine 51 and cysteine 57
Cysteine 353 and cysteine 358
Cysteine 365 and cysteine 387
Cysteine 476 and cysteine 479
Cysteine 358 and cysteine 365
A redox-regulated disulphide may form within 5'-nucleotidase between cysteines 51 and 57.

Details

Redox score ?
86
PDB code
6vca
Structure name
tb38 complex
Structure deposition date
2019-12-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q53Z63
Residue number A
51
Residue number B
57
Peptide name
5'-nucleotidase

Ligandability

Cysteine 51 of 5'-nucleotidase

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 57 of 5'-nucleotidase

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 5'-nucleotidase between cysteines 353 and 358.

Details

Redox score ?
81
PDB code
6vca
Structure name
tb38 complex
Structure deposition date
2019-12-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q53Z63
Residue number A
353
Residue number B
358
Peptide name
5'-nucleotidase

Ligandability

Cysteine 353 of 5'-nucleotidase

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 358 of 5'-nucleotidase

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 5'-nucleotidase between cysteines 365 and 387.

Details

Redox score ?
80
PDB code
6vca
Structure name
tb38 complex
Structure deposition date
2019-12-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
85
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q53Z63
Residue number A
365
Residue number B
387
Peptide name
5'-nucleotidase

Ligandability

Cysteine 365 of 5'-nucleotidase

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 387 of 5'-nucleotidase

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 5'-nucleotidase between cysteines 476 and 479.

Details

Redox score ?
71
PDB code
6vca
Structure name
tb38 complex
Structure deposition date
2019-12-20
Thiol separation (Å)
4
Half-sphere exposure sum ?
49
Minimum pKa ?
10
% buried
26
Peptide accession
Q53Z63
Residue number A
476
Residue number B
479
Peptide name
5'-nucleotidase

Ligandability

Cysteine 476 of 5'-nucleotidase

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 479 of 5'-nucleotidase

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 5'-nucleotidase between cysteines 358 and 365. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
6vca
Structure name
tb38 complex
Structure deposition date
2019-12-20
Thiol separation (Å)
10
Half-sphere exposure sum ?
88
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q53Z63
Residue number A
358
Residue number B
365
Peptide name
5'-nucleotidase

Ligandability

Cysteine 358 of 5'-nucleotidase

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 365 of 5'-nucleotidase

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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