ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Caspase-2

Intermolecular
Cysteine 436 and cysteine 436 L
Cysteine 179 and cysteine 399
Cysteine 320 and cysteine 370 L
Intramolecular
Cysteine 145 and cysteine 148
Cysteine 270 and cysteine 305
Cysteine 366 and cysteine 436 L
A redox-regulated disulphide may form between two units of Caspase-2 at cysteines 436 and 436.

Details

Redox score ?
74
PDB code
3r7b
Structure name
caspase-2 bound to one copy of ac-dvad-cho
Structure deposition date
2011-03-22
Thiol separation (Å)
2
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide A name
Caspase-2
Peptide B name
Caspase-2
Peptide A accession
P42575
Peptide B accession
P42575
Peptide A residue number
436
Peptide B residue number
436

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form between two units of Caspase-2 at cysteines 179 and 399 (14 and 252 respectively in this structure).

Details

Redox score ?
62
PDB code
2p2c
Structure name
inhibition of caspase-2 by a designed ankyrin repeat protein (darpin)
Structure deposition date
2007-03-07
Thiol separation (Å)
6
Half-sphere exposure sum ?
57
Minimum pKa ?
10
% buried
34
Peptide A name
Caspase-2
Peptide B name
Caspase-2
Peptide A accession
P42575
Peptide B accession
P42575
Peptide A residue number
179
Peptide B residue number
399

Ligandability

Cysteine 179 of Caspase-2

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 399 of Caspase-2

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 between two units of Caspase-2 at cysteines 320 and 370. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
3r6g
Structure name
crystal structure of active caspase-2 bound with ac-vdvad-cho
Structure deposition date
2011-03-21
Thiol separation (Å)
6
Half-sphere exposure sum ?
87
Minimum pKa ?
12
% buried
96
Peptide A name
Caspase-2
Peptide B name
Caspase-2
Peptide A accession
P42575
Peptide B accession
P42575
Peptide A residue number
320
Peptide B residue number
370

Ligandability

Cysteine 320 of Caspase-2

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.

Ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Ligandable in the dataset of Kuljanin et al.

Cysteine 370 of Caspase-2

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Caspase-2 between cysteines 145 and 148.

Details

Redox score ?
66
PDB code
6s9k
Structure name
structure of 14-3-3 gamma in complex with caspase-2 peptide containing 14-3-3 binding motif ser139 and nls
Structure deposition date
2019-07-15
Thiol separation (Å)
6
Half-sphere exposure sum ?
52
Minimum pKa ?
9
% buried
52
Peptide accession
P42575
Residue number A
145
Residue number B
148
Peptide name
Caspase-2

Ligandability

Cysteine 145 of Caspase-2

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 148 of Caspase-2

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 Caspase-2 between cysteines 270 and 305. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
3r7b
Structure name
caspase-2 bound to one copy of ac-dvad-cho
Structure deposition date
2011-03-22
Thiol separation (Å)
7
Half-sphere exposure sum ?
81
Minimum pKa ?
11
% buried
84
Peptide accession
P42575
Residue number A
270
Residue number B
305
Peptide name
Caspase-2

Ligandability

Cysteine 270 of Caspase-2

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 305 of Caspase-2

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 Caspase-2 between cysteines 366 and 436 (219 and 289 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
3rjm
Structure name
caspase2 in complex with chdi ligand 33c
Structure deposition date
2011-04-15
Thiol separation (Å)
7
Half-sphere exposure sum ?
80
Minimum pKa ?
12
% buried
nan
Peptide accession
P42575
Residue number A
366
Residue number B
436
Peptide name
Caspase-2

Ligandability

Cysteine 366 of Caspase-2

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 436 of Caspase-2

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.

Ligandable in the dataset of Kuljanin et al.

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