ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Kallikrein-5

Intramolecular
Cysteine 185 and cysteine 251
Cysteine 73 and cysteine 206
Cysteine 178 and cysteine 279
Cysteine 217 and cysteine 231
Cysteine 241 and cysteine 266
Cysteine 93 and cysteine 109
Cysteine 178 and cysteine 251
Cysteine 251 and cysteine 279
A redox-regulated disulphide may form within Kallikrein-5 between cysteines 185 and 251 (136 and 201 respectively in this structure).

Details

Redox score ?
86
PDB code
2psx
Structure name
crystal structure of human kallikrein 5 in complex with leupeptin
Structure deposition date
2007-05-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Y337
Residue number A
185
Residue number B
251
Peptide name
Kallikrein-5

Ligandability

Cysteine 185 of Kallikrein-5

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 251 of Kallikrein-5

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-5 between cysteines 73 and 206 (22 and 157 respectively in this structure).

Details

Redox score ?
84
PDB code
6qfe
Structure name
crystal structure of human kallikrein 5 in complex with gsk144
Structure deposition date
2019-01-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Y337
Residue number A
73
Residue number B
206
Peptide name
Kallikrein-5

Ligandability

Cysteine 73 of Kallikrein-5

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 206 of Kallikrein-5

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-5 between cysteines 178 and 279 (129 and 232 respectively in this structure).

Details

Redox score ?
82
PDB code
2psy
Structure name
crystal structure of human kallikrein 5 in complex with leupeptin and zinc
Structure deposition date
2007-05-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Y337
Residue number A
178
Residue number B
279
Peptide name
Kallikrein-5

Ligandability

Cysteine 178 of Kallikrein-5

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 279 of Kallikrein-5

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-5 between cysteines 217 and 231 (168 and 182 respectively in this structure).

Details

Redox score ?
80
PDB code
2psy
Structure name
crystal structure of human kallikrein 5 in complex with leupeptin and zinc
Structure deposition date
2007-05-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Y337
Residue number A
217
Residue number B
231
Peptide name
Kallikrein-5

Ligandability

Cysteine 217 of Kallikrein-5

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 231 of Kallikrein-5

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-5 between cysteines 241 and 266 (191 and 220 respectively in this structure).

Details

Redox score ?
80
PDB code
2psy
Structure name
crystal structure of human kallikrein 5 in complex with leupeptin and zinc
Structure deposition date
2007-05-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
85
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Y337
Residue number A
241
Residue number B
266
Peptide name
Kallikrein-5

Ligandability

Cysteine 241 of Kallikrein-5

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 266 of Kallikrein-5

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-5 between cysteines 93 and 109 (42 and 58 respectively in this structure).

Details

Redox score ?
80
PDB code
2psy
Structure name
crystal structure of human kallikrein 5 in complex with leupeptin and zinc
Structure deposition date
2007-05-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Y337
Residue number A
93
Residue number B
109
Peptide name
Kallikrein-5

Ligandability

Cysteine 93 of Kallikrein-5

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 109 of Kallikrein-5

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-5 between cysteines 178 and 251 (129 and 201 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
7u5b
Structure name
structure of human klk5 bound to anti-klk5 fab
Structure deposition date
2022-03-02
Thiol separation (Å)
9
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Y337
Residue number A
178
Residue number B
251
Peptide name
Kallikrein-5

Ligandability

Cysteine 178 of Kallikrein-5

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 251 of Kallikrein-5

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-5 between cysteines 251 and 279 (201 and 232 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
6qfe
Structure name
crystal structure of human kallikrein 5 in complex with gsk144
Structure deposition date
2019-01-10
Thiol separation (Å)
10
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Y337
Residue number A
251
Residue number B
279
Peptide name
Kallikrein-5

Ligandability

Cysteine 251 of Kallikrein-5

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 279 of Kallikrein-5

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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