ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Kallikrein-4

Intermolecular
Cysteine 228 and cysteine 42 of Trypsin inhibitor 1
Cysteine 203 and cysteine 42 of Trypsin inhibitor 1
Intramolecular
Cysteine 37 and cysteine 167
Cysteine 141 and cysteine 241
Cysteine 148 and cysteine 213
Cysteine 56 and cysteine 72
Cysteine 178 and cysteine 192
Cysteine 203 and cysteine 228
Cysteine 213 and cysteine 241
A redox-regulated disulphide may form between cysteine 228 of Kallikrein-4 and cysteine 42 of Trypsin inhibitor 1 (220 and 3 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
4kel
Structure name
atomic resolution crystal structure of kallikrein-related peptidase 4 complexed with a modified sfti inhibitor fcqr(n)
Structure deposition date
2013-04-25
Thiol separation (Å)
7
Half-sphere exposure sum ?
72
Minimum pKa ?
nan
% buried
nan
Peptide A name
Kallikrein-4
Peptide B name
Trypsin inhibitor 1
Peptide A accession
Q9Y5K2
Peptide B accession
Q4GWU5
Peptide A residue number
228
Peptide B residue number
42

Ligandability

Cysteine 228 of Kallikrein-4

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 42 of Trypsin inhibitor 1

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 cysteine 203 of Kallikrein-4 and cysteine 42 of Trypsin inhibitor 1 (191 and 3 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
4kel
Structure name
atomic resolution crystal structure of kallikrein-related peptidase 4 complexed with a modified sfti inhibitor fcqr(n)
Structure deposition date
2013-04-25
Thiol separation (Å)
8
Half-sphere exposure sum ?
88
Minimum pKa ?
nan
% buried
nan
Peptide A name
Kallikrein-4
Peptide B name
Trypsin inhibitor 1
Peptide A accession
Q9Y5K2
Peptide B accession
Q4GWU5
Peptide A residue number
203
Peptide B residue number
42

Ligandability

Cysteine 203 of Kallikrein-4

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 42 of Trypsin inhibitor 1

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-4 between cysteines 37 and 167 (22 and 157 respectively in this structure).

Details

Redox score ?
84
PDB code
2bdh
Structure name
human kallikrein 4 complex with zinc and p-aminobenzamidine
Structure deposition date
2005-10-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Y5K2
Residue number A
37
Residue number B
167
Peptide name
Kallikrein-4

Ligandability

Cysteine 37 of Kallikrein-4

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 167 of Kallikrein-4

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-4 between cysteines 141 and 241 (128 and 232 respectively in this structure).

Details

Redox score ?
82
PDB code
2bdi
Structure name
human kallikrein 4 complex with cobalt and p- aminobenzamidine
Structure deposition date
2005-10-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Y5K2
Residue number A
141
Residue number B
241
Peptide name
Kallikrein-4

Ligandability

Cysteine 141 of Kallikrein-4

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 241 of Kallikrein-4

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-4 between cysteines 148 and 213 (136 and 201 respectively in this structure).

Details

Redox score ?
82
PDB code
2bdi
Structure name
human kallikrein 4 complex with cobalt and p- aminobenzamidine
Structure deposition date
2005-10-20
Thiol separation (Å)
3
Half-sphere exposure sum ?
67
Minimum pKa ?
7
% buried
70
Peptide accession
Q9Y5K2
Residue number A
148
Residue number B
213
Peptide name
Kallikrein-4

Ligandability

Cysteine 148 of Kallikrein-4

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 213 of Kallikrein-4

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-4 between cysteines 56 and 72.

Details

Redox score ?
81
PDB code
6kbr
Structure name
crystal structure of human klk4 and spink2 derived klk4 inhibitor complex
Structure deposition date
2019-06-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
92
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Y5K2
Residue number A
56
Residue number B
72
Peptide name
Kallikrein-4

Ligandability

Cysteine 56 of Kallikrein-4

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 72 of Kallikrein-4

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-4 between cysteines 178 and 192 (168 and 182 respectively in this structure).

Details

Redox score ?
80
PDB code
4kga
Structure name
crystal structure of kallikrein-related peptidase 4
Structure deposition date
2013-04-29
Thiol separation (Å)
2
Half-sphere exposure sum ?
79
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9Y5K2
Residue number A
178
Residue number B
192
Peptide name
Kallikrein-4

Ligandability

Cysteine 178 of Kallikrein-4

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 192 of Kallikrein-4

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-4 between cysteines 203 and 228 (191 and 220 respectively in this structure).

Details

Redox score ?
79
PDB code
2bdi
Structure name
human kallikrein 4 complex with cobalt and p- aminobenzamidine
Structure deposition date
2005-10-20
Thiol separation (Å)
3
Half-sphere exposure sum ?
80
Minimum pKa ?
6
% buried
64
Peptide accession
Q9Y5K2
Residue number A
203
Residue number B
228
Peptide name
Kallikrein-4

Ligandability

Cysteine 203 of Kallikrein-4

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 228 of Kallikrein-4

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-4 between cysteines 213 and 241 (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 ?
45
PDB code
2bdi
Structure name
human kallikrein 4 complex with cobalt and p- aminobenzamidine
Structure deposition date
2005-10-20
Thiol separation (Å)
9
Half-sphere exposure sum ?
66
Minimum pKa ?
7
% buried
nan
Peptide accession
Q9Y5K2
Residue number A
213
Residue number B
241
Peptide name
Kallikrein-4

Ligandability

Cysteine 213 of Kallikrein-4

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 241 of Kallikrein-4

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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