ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Protegrin-3

Intermolecular
Cysteine 145 and cysteine 145
Intramolecular
Cysteine 138 and cysteine 143
A redox-regulated disulphide may form between two units of Protegrin-3 at cysteines 145 and 145 (15 and 15 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
2mz6
Structure name
nmr structure of protegrin-3 (pg3) in the presence of dpc micelles
Structure deposition date
2015-02-06
Thiol separation (Å)
7
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide A name
Protegrin-3
Peptide B name
Protegrin-3
Peptide A accession
P32196
Peptide B accession
P32196
Peptide A residue number
145
Peptide B residue number
145

Ligandability

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 Protegrin-3 between cysteines 138 and 143 (8 and 13 respectively in this structure).

Details

Redox score ?
87
PDB code
2mz6
Structure name
nmr structure of protegrin-3 (pg3) in the presence of dpc micelles
Structure deposition date
2015-02-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
35
Minimum pKa ?
nan
% buried
nan
Peptide accession
P32196
Residue number A
138
Residue number B
143
Peptide name
Protegrin-3

Ligandability

Cysteine 138 of Protegrin-3

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 143 of Protegrin-3

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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