ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Regucalcin

Intramolecular
Cysteine 207 and cysteine 248
Cysteine 14 and cysteine 40
Cysteine 8 and cysteine 262
Cysteine 14 and cysteine 262
Cysteine 248 and cysteine 249
Cysteine 207 and cysteine 249
Cysteine 8 and cysteine 14
Cysteine 14 and cysteine 16
Cysteine 218 and cysteine 248
Cysteine 16 and cysteine 262
A redox-regulated disulphide may form within Regucalcin between cysteines 207 and 248.

Details

Redox score ?
62
PDB code
3g4e
Structure name
crystal structure of human senescence marker protein-30(smp30)(calcium bound)
Structure deposition date
2009-02-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
101
Minimum pKa ?
9
% buried
100
Peptide accession
Q15493
Residue number A
207
Residue number B
248
Peptide name
Regucalcin

Ligandability

Cysteine 207 of Regucalcin

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 248 of Regucalcin

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 Regucalcin between cysteines 14 and 40. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
3g4e
Structure name
crystal structure of human senescence marker protein-30(smp30)(calcium bound)
Structure deposition date
2009-02-03
Thiol separation (Å)
6
Half-sphere exposure sum ?
75
Minimum pKa ?
12
% buried
88
Peptide accession
Q15493
Residue number A
14
Residue number B
40
Peptide name
Regucalcin

Ligandability

Cysteine 14 of Regucalcin

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 40 of Regucalcin

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 Regucalcin between cysteines 8 and 262. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
4gnb
Structure name
human smp30/gnl
Structure deposition date
2012-08-17
Thiol separation (Å)
7
Half-sphere exposure sum ?
79
Minimum pKa ?
11
% buried
72
Peptide accession
Q15493
Residue number A
8
Residue number B
262
Peptide name
Regucalcin

Ligandability

Cysteine 8 of Regucalcin

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 262 of Regucalcin

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 Regucalcin between cysteines 14 and 262. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
3g4e
Structure name
crystal structure of human senescence marker protein-30(smp30)(calcium bound)
Structure deposition date
2009-02-03
Thiol separation (Å)
7
Half-sphere exposure sum ?
85
Minimum pKa ?
13
% buried
94
Peptide accession
Q15493
Residue number A
14
Residue number B
262
Peptide name
Regucalcin

Ligandability

Cysteine 14 of Regucalcin

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 262 of Regucalcin

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 Regucalcin between cysteines 248 and 249. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
3g4h
Structure name
crystal structure of human senescence marker protein-30 (zinc bound)
Structure deposition date
2009-02-03
Thiol separation (Å)
8
Half-sphere exposure sum ?
93
Minimum pKa ?
9
% buried
100
Peptide accession
Q15493
Residue number A
248
Residue number B
249
Peptide name
Regucalcin

Ligandability

Cysteine 248 of Regucalcin

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 249 of Regucalcin

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 Regucalcin between cysteines 207 and 249. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
4gnc
Structure name
human smp30/gnl-1,5-ag complex
Structure deposition date
2012-08-17
Thiol separation (Å)
7
Half-sphere exposure sum ?
98
Minimum pKa ?
13
% buried
100
Peptide accession
Q15493
Residue number A
207
Residue number B
249
Peptide name
Regucalcin

Ligandability

Cysteine 207 of Regucalcin

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 249 of Regucalcin

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 Regucalcin between cysteines 8 and 14. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
4gnc
Structure name
human smp30/gnl-1,5-ag complex
Structure deposition date
2012-08-17
Thiol separation (Å)
10
Half-sphere exposure sum ?
62
Minimum pKa ?
11
% buried
70
Peptide accession
Q15493
Residue number A
8
Residue number B
14
Peptide name
Regucalcin

Ligandability

Cysteine 8 of Regucalcin

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 14 of Regucalcin

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 Regucalcin between cysteines 14 and 16. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
3g4e
Structure name
crystal structure of human senescence marker protein-30(smp30)(calcium bound)
Structure deposition date
2009-02-03
Thiol separation (Å)
8
Half-sphere exposure sum ?
74
Minimum pKa ?
13
% buried
95
Peptide accession
Q15493
Residue number A
14
Residue number B
16
Peptide name
Regucalcin

Ligandability

Cysteine 14 of Regucalcin

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 16 of Regucalcin

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 Regucalcin between cysteines 218 and 248. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
4gn7
Structure name
mouse smp30/gnl
Structure deposition date
2012-08-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
92
Minimum pKa ?
9
% buried
96
Peptide accession
Q64374
Residue number A
218
Residue number B
248
Peptide name
Regucalcin

Ligandability

Cysteine 218 of Regucalcin

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 248 of Regucalcin

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 Regucalcin between cysteines 16 and 262. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
4gnc
Structure name
human smp30/gnl-1,5-ag complex
Structure deposition date
2012-08-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
91
Minimum pKa ?
12
% buried
98
Peptide accession
Q15493
Residue number A
16
Residue number B
262
Peptide name
Regucalcin

Ligandability

Cysteine 16 of Regucalcin

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 262 of Regucalcin

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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