ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Kallikrein-2

Intramolecular
Cysteine 152 and cysteine 219
Cysteine 31 and cysteine 173
Cysteine 50 and cysteine 66
Cysteine 209 and cysteine 234
Cysteine 184 and cysteine 198
Cysteine 209 and cysteine 234
Cysteine 152 and cysteine 198
A redox-regulated disulphide may form within Kallikrein-2 between cysteines 152 and 219 (136 and 201 respectively in this structure).

Details

Redox score ?
84
PDB code
4nfe
Structure name
human kallikrein-related peptidase 2 in complex with benzamidine
Structure deposition date
2013-10-31
Thiol separation (Å)
2
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20151
Residue number A
152
Residue number B
219
Peptide name
Kallikrein-2

Ligandability

Cysteine 152 of Kallikrein-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 219 of Kallikrein-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 Kallikrein-2 between cysteines 31 and 173 (22 and 157 respectively in this structure).

Details

Redox score ?
83
PDB code
4nff
Structure name
human kallikrein-related peptidase 2 in complex with ppack
Structure deposition date
2013-10-31
Thiol separation (Å)
2
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20151
Residue number A
31
Residue number B
173
Peptide name
Kallikrein-2

Ligandability

Cysteine 31 of Kallikrein-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 173 of Kallikrein-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 Kallikrein-2 between cysteines 50 and 66 (42 and 58 respectively in this structure).

Details

Redox score ?
80
PDB code
4nfe
Structure name
human kallikrein-related peptidase 2 in complex with benzamidine
Structure deposition date
2013-10-31
Thiol separation (Å)
2
Half-sphere exposure sum ?
83
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20151
Residue number A
50
Residue number B
66
Peptide name
Kallikrein-2

Ligandability

Cysteine 50 of Kallikrein-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 66 of Kallikrein-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 Kallikrein-2 between cysteines 209 and 234 (191 and 220 respectively in this structure).

Details

Redox score ?
80
PDB code
4nfe
Structure name
human kallikrein-related peptidase 2 in complex with benzamidine
Structure deposition date
2013-10-31
Thiol separation (Å)
2
Half-sphere exposure sum ?
83
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20151
Residue number A
209
Residue number B
234
Peptide name
Kallikrein-2

Ligandability

Cysteine 209 of Kallikrein-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 234 of Kallikrein-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 Kallikrein-2 between cysteines 184 and 198 (168 and 182 respectively in this structure).

Details

Redox score ?
80
PDB code
4nff
Structure name
human kallikrein-related peptidase 2 in complex with ppack
Structure deposition date
2013-10-31
Thiol separation (Å)
2
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20151
Residue number A
184
Residue number B
198
Peptide name
Kallikrein-2

Ligandability

Cysteine 184 of Kallikrein-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 198 of Kallikrein-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 Kallikrein-1E2 between cysteines 209 and 234 (191 and 220 respectively in this structure).

Details

Redox score ?
77
PDB code
1gvz
Structure name
prostate specific antigen (psa) from stallion seminal plasma
Structure deposition date
2002-02-28
Thiol separation (Å)
2
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q6H321
Residue number A
209
Residue number B
234
Peptide name
Kallikrein-1E2

Ligandability

Cysteine 209 of Kallikrein-1E2

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 234 of Kallikrein-1E2

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 Kallikrein-1E2 between cysteines 152 and 198 (136 and 182 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
1gvz
Structure name
prostate specific antigen (psa) from stallion seminal plasma
Structure deposition date
2002-02-28
Thiol separation (Å)
10
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q6H321
Residue number A
152
Residue number B
198
Peptide name
Kallikrein-1E2

Ligandability

Cysteine 152 of Kallikrein-1E2

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 198 of Kallikrein-1E2

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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