ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Neprilysin

Intramolecular
Cysteine 80 and cysteine 735
Cysteine 234 and cysteine 242
Cysteine 57 and cysteine 62
Cysteine 88 and cysteine 695
Cysteine 621 and cysteine 747
Cysteine 143 and cysteine 411
A redox-regulated disulphide may form within Neprilysin between cysteines 80 and 735 (79 and 734 respectively in this structure).

Details

Redox score ?
88
PDB code
6gid
Structure name
high resolution crystal structure of substrate-free human neprilysin
Structure deposition date
2018-05-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
P08473
Residue number A
80
Residue number B
735
Peptide name
Neprilysin

Ligandability

Cysteine 80 of Neprilysin

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 735 of Neprilysin

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 Neprilysin between cysteines 234 and 242 (233 and 241 respectively in this structure).

Details

Redox score ?
85
PDB code
1r1j
Structure name
structural analysis of neprilysin with various specific and potent inhibitors
Structure deposition date
2003-09-24
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
P08473
Residue number A
234
Residue number B
242
Peptide name
Neprilysin

Ligandability

Cysteine 234 of Neprilysin

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 242 of Neprilysin

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 Neprilysin between cysteines 57 and 62.

Details

Redox score ?
84
PDB code
5v48
Structure name
soluble rabbit neprilysin in complex with thiorphan
Structure deposition date
2017-03-08
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
P08049
Residue number A
57
Residue number B
62
Peptide name
Neprilysin

Ligandability

Cysteine 57 of Neprilysin

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 62 of Neprilysin

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 Neprilysin between cysteines 88 and 695.

Details

Redox score ?
81
PDB code
4xbh
Structure name
soluble rabbit neprilysin
Structure deposition date
2014-12-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
P08049
Residue number A
88
Residue number B
695
Peptide name
Neprilysin

Ligandability

Cysteine 88 of Neprilysin

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 695 of Neprilysin

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 Neprilysin between cysteines 621 and 747.

Details

Redox score ?
81
PDB code
5v48
Structure name
soluble rabbit neprilysin in complex with thiorphan
Structure deposition date
2017-03-08
Thiol separation (Å)
2
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
P08049
Residue number A
621
Residue number B
747
Peptide name
Neprilysin

Ligandability

Cysteine 621 of Neprilysin

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 747 of Neprilysin

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 Neprilysin between cysteines 143 and 411 (142 and 410 respectively in this structure).

Details

Redox score ?
80
PDB code
6gid
Structure name
high resolution crystal structure of substrate-free human neprilysin
Structure deposition date
2018-05-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
P08473
Residue number A
143
Residue number B
411
Peptide name
Neprilysin

Ligandability

Cysteine 143 of Neprilysin

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 411 of Neprilysin

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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