Kallikrein-7
Intermolecular
Cysteine 137 and cysteine 137
Cysteine 239 and cysteine 137
Cysteine 239 and cysteine 239
Intramolecular
Cysteine 144 and cysteine 211
Cysteine 36 and cysteine 165
Cysteine 176 and cysteine 190
Cysteine 55 and cysteine 71
Cysteine 201 and cysteine 226
Cysteine 211 and cysteine 239
Cysteine 137 and cysteine 211
2qxg A 128 B 128
A redox-regulated disulphide may form between two units of Kallikrein-7 at cysteines 137 and 137 (128 and 128 respectively in this structure).
Details
Redox score ?
62
PDB code
2qxg
Structure name
crystal structure of human kallikrein 7 in complex with ala- ala-phe-chloromethylketone
Structure deposition date
2007-08-11
Thiol separation (Å)
6
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide A name
Kallikrein-7
Peptide B name
Kallikrein-7
Peptide A accession
P49862
Peptide B accession
P49862
Peptide A residue number
137
Peptide B residue number
137
Ligandability
2qxg A 232 B 128
A redox-regulated disulphide may form between two units of Kallikrein-7 at cysteines 239 and 137 (232 and 128 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
50
PDB code
2qxg
Structure name
crystal structure of human kallikrein 7 in complex with ala- ala-phe-chloromethylketone
Structure deposition date
2007-08-11
Thiol separation (Å)
7
Half-sphere exposure sum ?
72
Minimum pKa ?
nan
% buried
nan
Peptide A name
Kallikrein-7
Peptide B name
Kallikrein-7
Peptide A accession
P49862
Peptide B accession
P49862
Peptide A residue number
239
Peptide B residue number
137
Ligandability
Cysteine 239 of Kallikrein-7
Cysteine 137 of Kallikrein-7
2qxg A 232 B 232
A redox-regulated disulphide may form between two units of Kallikrein-7 at cysteines 239 and 239 (232 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 ?
40
PDB code
2qxg
Structure name
crystal structure of human kallikrein 7 in complex with ala- ala-phe-chloromethylketone
Structure deposition date
2007-08-11
Thiol separation (Å)
9
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide A name
Kallikrein-7
Peptide B name
Kallikrein-7
Peptide A accession
P49862
Peptide B accession
P49862
Peptide A residue number
239
Peptide B residue number
239
Ligandability
6shh E 136 E 201
A redox-regulated disulphide may form within Kallikrein-7 between cysteines 144 and 211 (136 and 201 respectively in this structure).
Details
Redox score ?
85
PDB code
6shh
Structure name
human kallikrein 7 with aromatic coumarinic ester compound 1 covalently bound to h57
Structure deposition date
2019-08-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
P49862
Residue number A
144
Residue number B
211
Peptide name
Kallikrein-7
Ligandability
Cysteine 144 of Kallikrein-7
Cysteine 211 of Kallikrein-7
2qxg B 22 B 157
A redox-regulated disulphide may form within Kallikrein-7 between cysteines 36 and 165 (22 and 157 respectively in this structure).
Details
Redox score ?
84
PDB code
2qxg
Structure name
crystal structure of human kallikrein 7 in complex with ala- ala-phe-chloromethylketone
Structure deposition date
2007-08-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
P49862
Residue number A
36
Residue number B
165
Peptide name
Kallikrein-7
Ligandability
Cysteine 36 of Kallikrein-7
Cysteine 165 of Kallikrein-7
6sju H 168 H 182
A redox-regulated disulphide may form within Kallikrein-7 between cysteines 176 and 190 (168 and 182 respectively in this structure).
Details
Redox score ?
81
PDB code
6sju
Structure name
human kallikrein 7 with aromatic coumarinic ester compound 3 covalently bound to h57
Structure deposition date
2019-08-13
Thiol separation (Å)
2
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
P49862
Residue number A
176
Residue number B
190
Peptide name
Kallikrein-7
Ligandability
Cysteine 176 of Kallikrein-7
Cysteine 190 of Kallikrein-7
6shi A 42 A 58
A redox-regulated disulphide may form within Kallikrein-7 between cysteines 55 and 71 (42 and 58 respectively in this structure).
Details
Redox score ?
80
PDB code
6shi
Structure name
human kallikrein 7 with aromatic coumarinic ester compound 2 covalently bound to h57
Structure deposition date
2019-08-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
89
Minimum pKa ?
nan
% buried
nan
Peptide accession
P49862
Residue number A
55
Residue number B
71
Peptide name
Kallikrein-7
Ligandability
Cysteine 55 of Kallikrein-7
Cysteine 71 of Kallikrein-7
6shh F 191 F 220
A redox-regulated disulphide may form within Kallikrein-7 between cysteines 201 and 226 (191 and 220 respectively in this structure).
Details
Redox score ?
80
PDB code
6shh
Structure name
human kallikrein 7 with aromatic coumarinic ester compound 1 covalently bound to h57
Structure deposition date
2019-08-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
P49862
Residue number A
201
Residue number B
226
Peptide name
Kallikrein-7
Ligandability
Cysteine 201 of Kallikrein-7
Cysteine 226 of Kallikrein-7
6shh C 201 C 232
A redox-regulated disulphide may form within Kallikrein-7 between cysteines 211 and 239 (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
6shh
Structure name
human kallikrein 7 with aromatic coumarinic ester compound 1 covalently bound to h57
Structure deposition date
2019-08-06
Thiol separation (Å)
10
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
P49862
Residue number A
211
Residue number B
239
Peptide name
Kallikrein-7
Ligandability
Cysteine 211 of Kallikrein-7
Cysteine 239 of Kallikrein-7
3bsq C 123 C 197
A redox-regulated disulphide may form within Kallikrein-7 between cysteines 137 and 211 (123 and 197 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
35
PDB code
3bsq
Structure name
crystal structure of human kallikrein 7 produced as a secretion protein in e
Structure deposition date
2007-12-26
Thiol separation (Å)
10
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
P49862
Residue number A
137
Residue number B
211
Peptide name
Kallikrein-7
Ligandability
Cysteine 137 of Kallikrein-7
Cysteine 211 of Kallikrein-7
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