ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Mannan-binding lectin serine protease 1

Intermolecular
Cysteine 475 and cysteine 70 of Serine protease inhibitor I/II
Cysteine 491 and cysteine 70 of Serine protease inhibitor I/II
Cysteine 672 and cysteine 84 of Serine protease inhibitor I/II
Cysteine 475 and cysteine 89 of Serine protease inhibitor I/II
Intramolecular
Cysteine 242 and cysteine 260
Cysteine 301 and cysteine 349
Cysteine 78 and cysteine 96
Cysteine 329 and cysteine 362
Cysteine 158 and cysteine 171
Cysteine 143 and cysteine 157
More...
Cysteine 185 and cysteine 212
Cysteine 367 and cysteine 414
Cysteine 397 and cysteine 432
Cysteine 168 and cysteine 181
Cysteine 642 and cysteine 642
Cysteine 143 and cysteine 631
Cysteine 614 and cysteine 631
Cysteine 475 and cysteine 491
Cysteine 436 and cysteine 572
Cysteine 642 and cysteine 672
Cysteine 153 and cysteine 157
Cysteine 157 and cysteine 166
Cysteine 143 and cysteine 153
Cysteine 143 and cysteine 166
Cysteine 171 and cysteine 186
Cysteine 166 and cysteine 168
Cysteine 153 and cysteine 168
Cysteine 153 and cysteine 181
A redox-regulated disulphide may form between cysteine 475 of Mannan-binding lectin serine protease 1 and cysteine 70 of Serine protease inhibitor I/II (475 and 17 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
4djz
Structure name
catalytic fragment of masp-1 in complex with its specific inhibitor developed by directed evolution on sgci scaffold
Structure deposition date
2012-02-03
Thiol separation (Å)
8
Half-sphere exposure sum ?
79
Minimum pKa ?
nan
% buried
nan
Peptide A name
Mannan-binding lectin serine protease 1
Peptide B name
Serine protease inhibitor I/II
Peptide A accession
P48740
Peptide B accession
O46162
Peptide A residue number
475
Peptide B residue number
70

Ligandability

Cysteine 475 of Mannan-binding lectin serine protease 1

Cysteine 70 of Serine protease inhibitor I/II

A redox-regulated disulphide may form between cysteine 491 of Mannan-binding lectin serine protease 1 and cysteine 70 of Serine protease inhibitor I/II (491 and 17 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
4djz
Structure name
catalytic fragment of masp-1 in complex with its specific inhibitor developed by directed evolution on sgci scaffold
Structure deposition date
2012-02-03
Thiol separation (Å)
9
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide A name
Mannan-binding lectin serine protease 1
Peptide B name
Serine protease inhibitor I/II
Peptide A accession
P48740
Peptide B accession
O46162
Peptide A residue number
491
Peptide B residue number
70

Ligandability

Cysteine 491 of Mannan-binding lectin serine protease 1

Cysteine 70 of Serine protease inhibitor I/II

A redox-regulated disulphide may form between cysteine 672 of Mannan-binding lectin serine protease 1 and cysteine 84 of Serine protease inhibitor I/II (672 and 31 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
4djz
Structure name
catalytic fragment of masp-1 in complex with its specific inhibitor developed by directed evolution on sgci scaffold
Structure deposition date
2012-02-03
Thiol separation (Å)
10
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide A name
Mannan-binding lectin serine protease 1
Peptide B name
Serine protease inhibitor I/II
Peptide A accession
P48740
Peptide B accession
O46162
Peptide A residue number
672
Peptide B residue number
84

Ligandability

Cysteine 672 of Mannan-binding lectin serine protease 1

Cysteine 84 of Serine protease inhibitor I/II

A redox-regulated disulphide may form between cysteine 475 of Mannan-binding lectin serine protease 1 and cysteine 89 of Serine protease inhibitor I/II (475 and 36 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
4djz
Structure name
catalytic fragment of masp-1 in complex with its specific inhibitor developed by directed evolution on sgci scaffold
Structure deposition date
2012-02-03
Thiol separation (Å)
9
Half-sphere exposure sum ?
84
Minimum pKa ?
nan
% buried
nan
Peptide A name
Mannan-binding lectin serine protease 1
Peptide B name
Serine protease inhibitor I/II
Peptide A accession
P48740
Peptide B accession
O46162
Peptide A residue number
475
Peptide B residue number
89

Ligandability

Cysteine 475 of Mannan-binding lectin serine protease 1

Cysteine 89 of Serine protease inhibitor I/II

A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 242 and 260.

Details

Redox score ?
88
PDB code
4aqb
Structure name
mbl-ficolin associated protein-1, map-1 aka map44
Structure deposition date
2012-04-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
P48740
Residue number A
242
Residue number B
260
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 242 of Mannan-binding lectin serine protease 1

Cysteine 260 of Mannan-binding lectin serine protease 1

A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 301 and 349.

Details

Redox score ?
87
PDB code
4aqb
Structure name
mbl-ficolin associated protein-1, map-1 aka map44
Structure deposition date
2012-04-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
P48740
Residue number A
301
Residue number B
349
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 301 of Mannan-binding lectin serine protease 1

Cysteine 349 of Mannan-binding lectin serine protease 1

A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 78 and 96 (54 and 72 respectively in this structure).

Details

Redox score ?
87
PDB code
5ckq
Structure name
cub1-egf-cub2 domains of rat masp-1
Structure deposition date
2015-07-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8CHN8
Residue number A
78
Residue number B
96
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 78 of Mannan-binding lectin serine protease 1

Cysteine 96 of Mannan-binding lectin serine protease 1

A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 329 and 362.

Details

Redox score ?
87
PDB code
4igd
Structure name
crystal structure of the zymogen catalytic region of human masp-1
Structure deposition date
2012-12-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
P48740
Residue number A
329
Residue number B
362
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 329 of Mannan-binding lectin serine protease 1

Cysteine 362 of Mannan-binding lectin serine protease 1

A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 158 and 171 (134 and 147 respectively in this structure).

Details

Redox score ?
86
PDB code
5ckq
Structure name
cub1-egf-cub2 domains of rat masp-1
Structure deposition date
2015-07-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8CHN8
Residue number A
158
Residue number B
171
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 158 of Mannan-binding lectin serine protease 1

Cysteine 171 of Mannan-binding lectin serine protease 1

A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 143 and 157.

Details

Redox score ?
86
PDB code
4aqb
Structure name
mbl-ficolin associated protein-1, map-1 aka map44
Structure deposition date
2012-04-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide accession
P48740
Residue number A
143
Residue number B
157
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 143 of Mannan-binding lectin serine protease 1

Cysteine 157 of Mannan-binding lectin serine protease 1

A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 185 and 212.

Details

Redox score ?
86
PDB code
4aqb
Structure name
mbl-ficolin associated protein-1, map-1 aka map44
Structure deposition date
2012-04-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P48740
Residue number A
185
Residue number B
212
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 185 of Mannan-binding lectin serine protease 1

Cysteine 212 of Mannan-binding lectin serine protease 1

A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 367 and 414.

Details

Redox score ?
86
PDB code
4djz
Structure name
catalytic fragment of masp-1 in complex with its specific inhibitor developed by directed evolution on sgci scaffold
Structure deposition date
2012-02-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
P48740
Residue number A
367
Residue number B
414
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 367 of Mannan-binding lectin serine protease 1

Cysteine 414 of Mannan-binding lectin serine protease 1

A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 397 and 432.

Details

Redox score ?
85
PDB code
7arx
Structure name
crystal structure of the catalytic fragment of masp-1 in complex with sfmi1
Structure deposition date
2020-10-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
P48740
Residue number A
397
Residue number B
432
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 397 of Mannan-binding lectin serine protease 1

Cysteine 432 of Mannan-binding lectin serine protease 1

A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 168 and 181.

Details

Redox score ?
84
PDB code
4aqb
Structure name
mbl-ficolin associated protein-1, map-1 aka map44
Structure deposition date
2012-04-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
P48740
Residue number A
168
Residue number B
181
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 168 of Mannan-binding lectin serine protease 1

Cysteine 181 of Mannan-binding lectin serine protease 1

A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 642 and 642 (660 and 692 respectively in this structure).

Details

Redox score ?
81
PDB code
4kkd
Structure name
the x-ray crystal structure of mannose-binding lectin-associated serine proteinase-3 reveals the structural basis for enzyme inactivity associated with the 3mc syndrome
Structure deposition date
2013-05-05
Thiol separation (Å)
2
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
P48740
Residue number A
642
Residue number B
642
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 642 of Mannan-binding lectin serine protease 1

Cysteine 642 of Mannan-binding lectin serine protease 1

Uncertain whether structure cysteine 692 has been assigned to correct residue.
A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 143 and 631 (630 and 649 respectively in this structure).

Details

Redox score ?
80
PDB code
4kkd
Structure name
the x-ray crystal structure of mannose-binding lectin-associated serine proteinase-3 reveals the structural basis for enzyme inactivity associated with the 3mc syndrome
Structure deposition date
2013-05-05
Thiol separation (Å)
2
Half-sphere exposure sum ?
83
Minimum pKa ?
nan
% buried
nan
Peptide accession
P48740
Residue number A
143
Residue number B
631
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 143 of Mannan-binding lectin serine protease 1

Cysteine 631 of Mannan-binding lectin serine protease 1

A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 614 and 631.

Details

Redox score ?
79
PDB code
3gov
Structure name
crystal structure of the catalytic region of human masp-1
Structure deposition date
2009-03-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
P48740
Residue number A
614
Residue number B
631
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 614 of Mannan-binding lectin serine protease 1

Cysteine 631 of Mannan-binding lectin serine protease 1

A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 475 and 491.

Details

Redox score ?
79
PDB code
7arx
Structure name
crystal structure of the catalytic fragment of masp-1 in complex with sfmi1
Structure deposition date
2020-10-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
99
Minimum pKa ?
nan
% buried
nan
Peptide accession
P48740
Residue number A
475
Residue number B
491
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 475 of Mannan-binding lectin serine protease 1

Cysteine 491 of Mannan-binding lectin serine protease 1

A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 436 and 572.

Details

Redox score ?
78
PDB code
4igd
Structure name
crystal structure of the zymogen catalytic region of human masp-1
Structure deposition date
2012-12-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide accession
P48740
Residue number A
436
Residue number B
572
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 436 of Mannan-binding lectin serine protease 1

Cysteine 572 of Mannan-binding lectin serine protease 1

A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 642 and 672.

Details

Redox score ?
77
PDB code
7arx
Structure name
crystal structure of the catalytic fragment of masp-1 in complex with sfmi1
Structure deposition date
2020-10-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
96
Minimum pKa ?
nan
% buried
nan
Peptide accession
P48740
Residue number A
642
Residue number B
672
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 642 of Mannan-binding lectin serine protease 1

Cysteine 672 of Mannan-binding lectin serine protease 1

A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 153 and 157.

Details

Redox score ?
74
PDB code
4aqb
Structure name
mbl-ficolin associated protein-1, map-1 aka map44
Structure deposition date
2012-04-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
P48740
Residue number A
153
Residue number B
157
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 153 of Mannan-binding lectin serine protease 1

Cysteine 157 of Mannan-binding lectin serine protease 1

A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 157 and 166 (138 and 147 respectively in this structure).

Details

Redox score ?
64
PDB code
3dem
Structure name
cub1-egf-cub2 domain of human masp-1/3
Structure deposition date
2008-06-10
Thiol separation (Å)
6
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q96RS4
Residue number A
157
Residue number B
166
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 157 of Mannan-binding lectin serine protease 1

Cysteine 166 of Mannan-binding lectin serine protease 1

A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 143 and 153.

Details

Redox score ?
63
PDB code
4aqb
Structure name
mbl-ficolin associated protein-1, map-1 aka map44
Structure deposition date
2012-04-16
Thiol separation (Å)
6
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
P48740
Residue number A
143
Residue number B
153
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 143 of Mannan-binding lectin serine protease 1

Cysteine 153 of Mannan-binding lectin serine protease 1

A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 143 and 166. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
4aqb
Structure name
mbl-ficolin associated protein-1, map-1 aka map44
Structure deposition date
2012-04-16
Thiol separation (Å)
8
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
P48740
Residue number A
143
Residue number B
166
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 143 of Mannan-binding lectin serine protease 1

Cysteine 166 of Mannan-binding lectin serine protease 1

A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 171 and 186 (147 and 162 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
5ckq
Structure name
cub1-egf-cub2 domains of rat masp-1
Structure deposition date
2015-07-15
Thiol separation (Å)
7
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8CHN8
Residue number A
171
Residue number B
186
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 171 of Mannan-binding lectin serine protease 1

Cysteine 186 of Mannan-binding lectin serine protease 1

A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 166 and 168 (147 and 149 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
3dem
Structure name
cub1-egf-cub2 domain of human masp-1/3
Structure deposition date
2008-06-10
Thiol separation (Å)
8
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q96RS4
Residue number A
166
Residue number B
168
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 166 of Mannan-binding lectin serine protease 1

Cysteine 168 of Mannan-binding lectin serine protease 1

A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 153 and 168. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
4aqb
Structure name
mbl-ficolin associated protein-1, map-1 aka map44
Structure deposition date
2012-04-16
Thiol separation (Å)
9
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
P48740
Residue number A
153
Residue number B
168
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 153 of Mannan-binding lectin serine protease 1

Cysteine 168 of Mannan-binding lectin serine protease 1

A redox-regulated disulphide may form within Mannan-binding lectin serine protease 1 between cysteines 153 and 181. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
4aqb
Structure name
mbl-ficolin associated protein-1, map-1 aka map44
Structure deposition date
2012-04-16
Thiol separation (Å)
8
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
P48740
Residue number A
153
Residue number B
181
Peptide name
Mannan-binding lectin serine protease 1

Ligandability

Cysteine 153 of Mannan-binding lectin serine protease 1

Cysteine 181 of Mannan-binding lectin serine protease 1

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