ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Espin

Intramolecular
Cysteine 288 and cysteine 320
Cysteine 287 and cysteine 288
Cysteine 287 and cysteine 320
Cysteine 51 and cysteine 85
A redox-regulated disulphide may form within Espin between cysteines 288 and 320.

Details

Redox score ?
68
PDB code
5et1
Structure name
crystal structure of myo3b-arb1 in complex with espin1-ar
Structure deposition date
2015-11-17
Thiol separation (Å)
4
Half-sphere exposure sum ?
83
Minimum pKa ?
11
% buried
56
Peptide accession
Q9ET47
Residue number A
288
Residue number B
320
Peptide name
Espin

Ligandability

Cysteine 288 of Espin

Cysteine 320 of Espin

A redox-regulated disulphide may form within Espin between cysteines 287 and 288. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
5et0
Structure name
crystal structure of myo3b-arb2 in complex with espin1-ar
Structure deposition date
2015-11-17
Thiol separation (Å)
7
Half-sphere exposure sum ?
85
Minimum pKa ?
12
% buried
64
Peptide accession
Q9ET47
Residue number A
287
Residue number B
288
Peptide name
Espin

Ligandability

Cysteine 287 of Espin

Cysteine 288 of Espin

A redox-regulated disulphide may form within Espin between cysteines 287 and 320. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
5et1
Structure name
crystal structure of myo3b-arb1 in complex with espin1-ar
Structure deposition date
2015-11-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
73
Minimum pKa ?
10
% buried
50
Peptide accession
Q9ET47
Residue number A
287
Residue number B
320
Peptide name
Espin

Ligandability

Cysteine 287 of Espin

Cysteine 320 of Espin

A redox-regulated disulphide may form within Espin between cysteines 51 and 85. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
5et1
Structure name
crystal structure of myo3b-arb1 in complex with espin1-ar
Structure deposition date
2015-11-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
73
Minimum pKa ?
11
% buried
67
Peptide accession
Q9ET47
Residue number A
51
Residue number B
85
Peptide name
Espin

Ligandability

Cysteine 51 of Espin

Cysteine 85 of Espin

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