ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Kallikrein-6

Intermolecular
Cysteine 63 and cysteine 300 of Amyloid-beta precursor protein
Cysteine 47 and cysteine 300 of Amyloid-beta precursor protein
Intramolecular
Cysteine 138 and cysteine 203
Cysteine 28 and cysteine 157
Cysteine 131 and cysteine 231
Cysteine 168 and cysteine 182
Cysteine 193 and cysteine 218
Cysteine 47 and cysteine 63
Cysteine 28 and cysteine 218
Cysteine 28 and cysteine 193
More...
Cysteine 157 and cysteine 218
Cysteine 157 and cysteine 193
A redox-regulated disulphide may form between cysteine 63 of Kallikrein-6 and cysteine 300 of Amyloid-beta precursor protein (58 and 14 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
5nx3
Structure name
combinatorial engineering of proteolytically resistant appi variants that selectively inhibit human kallikrein 6 for cancer therapy
Structure deposition date
2017-05-09
Thiol separation (Å)
8
Half-sphere exposure sum ?
97
Minimum pKa ?
nan
% buried
nan
Peptide A name
Kallikrein-6
Peptide B name
Amyloid-beta precursor protein
Peptide A accession
Q92876
Peptide B accession
P05067
Peptide A residue number
63
Peptide B residue number
300

Ligandability

Cysteine 63 of Kallikrein-6

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 300 of Amyloid-beta precursor protein

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 47 of Kallikrein-6 and cysteine 300 of Amyloid-beta precursor protein (42 and 14 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
5nx1
Structure name
combinatorial engineering of proteolytically resistant appi variants that selectively inhibit human kallikrein 6 for cancer therapy
Structure deposition date
2017-05-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
101
Minimum pKa ?
nan
% buried
nan
Peptide A name
Kallikrein-6
Peptide B name
Amyloid-beta precursor protein
Peptide A accession
Q92876
Peptide B accession
P05067
Peptide A residue number
47
Peptide B residue number
300

Ligandability

Cysteine 47 of Kallikrein-6

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 300 of Amyloid-beta precursor protein

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-6 between cysteines 138 and 203 (136 and 201 respectively in this structure).

Details

Redox score ?
85
PDB code
1l2e
Structure name
human kallikrein 6 (hk6) active form with benzamidine inhibitor
Structure deposition date
2002-02-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q92876
Residue number A
138
Residue number B
203
Peptide name
Kallikrein-6

Ligandability

Cysteine 138 of Kallikrein-6

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 203 of Kallikrein-6

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-6 between cysteines 28 and 157 (22 and 157 respectively in this structure).

Details

Redox score ?
84
PDB code
6skd
Structure name
crystal structure of human kallikrein 6 (i218y) in complex with gsk3397892a
Structure deposition date
2019-08-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q92876
Residue number A
28
Residue number B
157
Peptide name
Kallikrein-6

Ligandability

Cysteine 28 of Kallikrein-6

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 157 of Kallikrein-6

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-6 between cysteines 131 and 231 (128 and 232 respectively in this structure).

Details

Redox score ?
84
PDB code
1l2e
Structure name
human kallikrein 6 (hk6) active form with benzamidine inhibitor
Structure deposition date
2002-02-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q92876
Residue number A
131
Residue number B
231
Peptide name
Kallikrein-6

Ligandability

Cysteine 131 of Kallikrein-6

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-6

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-6 between cysteines 168 and 182.

Details

Redox score ?
83
PDB code
6qhb
Structure name
crystal structure of human kallikrein 6 in complex with gsk578724a
Structure deposition date
2019-01-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q92876
Residue number A
168
Residue number B
182
Peptide name
Kallikrein-6

Ligandability

Cysteine 168 of Kallikrein-6

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 182 of Kallikrein-6

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-6 between cysteines 193 and 218 (191 and 220 respectively in this structure).

Details

Redox score ?
82
PDB code
1gvl
Structure name
human prokallikrein 6 (hk6)/ prozyme/ proprotease m/ proneurosin
Structure deposition date
2002-02-14
Thiol separation (Å)
2
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q92876
Residue number A
193
Residue number B
218
Peptide name
Kallikrein-6

Ligandability

Cysteine 193 of Kallikrein-6

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 218 of Kallikrein-6

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-6 between cysteines 47 and 63 (42 and 58 respectively in this structure).

Details

Redox score ?
82
PDB code
6skd
Structure name
crystal structure of human kallikrein 6 (i218y) in complex with gsk3397892a
Structure deposition date
2019-08-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
84
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q92876
Residue number A
47
Residue number B
63
Peptide name
Kallikrein-6

Ligandability

Cysteine 47 of Kallikrein-6

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 63 of Kallikrein-6

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-6 between cysteines 28 and 218 (22 and 220 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
1gvl
Structure name
human prokallikrein 6 (hk6)/ prozyme/ proprotease m/ proneurosin
Structure deposition date
2002-02-14
Thiol separation (Å)
9
Half-sphere exposure sum ?
72
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q92876
Residue number A
28
Residue number B
218
Peptide name
Kallikrein-6

Ligandability

Cysteine 28 of Kallikrein-6

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 218 of Kallikrein-6

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-6 between cysteines 28 and 193 (22 and 191 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
1gvl
Structure name
human prokallikrein 6 (hk6)/ prozyme/ proprotease m/ proneurosin
Structure deposition date
2002-02-14
Thiol separation (Å)
9
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q92876
Residue number A
28
Residue number B
193
Peptide name
Kallikrein-6

Ligandability

Cysteine 28 of Kallikrein-6

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 193 of Kallikrein-6

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-6 between cysteines 157 and 218 (157 and 220 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
1gvl
Structure name
human prokallikrein 6 (hk6)/ prozyme/ proprotease m/ proneurosin
Structure deposition date
2002-02-14
Thiol separation (Å)
9
Half-sphere exposure sum ?
84
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q92876
Residue number A
157
Residue number B
218
Peptide name
Kallikrein-6

Ligandability

Cysteine 157 of Kallikrein-6

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 218 of Kallikrein-6

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-6 between cysteines 157 and 193 (157 and 191 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
1gvl
Structure name
human prokallikrein 6 (hk6)/ prozyme/ proprotease m/ proneurosin
Structure deposition date
2002-02-14
Thiol separation (Å)
10
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q92876
Residue number A
157
Residue number B
193
Peptide name
Kallikrein-6

Ligandability

Cysteine 157 of Kallikrein-6

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 193 of Kallikrein-6

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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