Tissue factor pathway inhibitor
Intermolecular
Cysteine 121 of Trypsin-3 and cysteine 63
Cysteine 105 of Trypsin-3 and cysteine 267
Cysteine 105 of Trypsin-3 and cysteine 63
Cysteine 253 of Trypsin-3 and cysteine 171
Cysteine 277 of Trypsin-3 and cysteine 171
Cysteine 253 of Trypsin-3 and cysteine 267
Intramolecular
Cysteine 242 and cysteine 263
Cysteine 125 and cysteine 175
Cysteine 150 and cysteine 171
Cysteine 54 and cysteine 104
More...Cysteine 79 and cysteine 100
Cysteine 217 and cysteine 267
Cysteine 226 and cysteine 250
Cysteine 134 and cysteine 158
Cysteine 63 and cysteine 87
Cysteine 100 and cysteine 104
Cysteine 171 and cysteine 175
Cysteine 79 and cysteine 104
Cysteine 150 and cysteine 175
Cysteine 125 and cysteine 171
Cysteine 54 and cysteine 100
Cysteine 263 and cysteine 267
Cysteine 125 and cysteine 150
Cysteine 217 and cysteine 263
Cysteine 54 and cysteine 79
Cysteine 242 and cysteine 267
Cysteine 217 and cysteine 242
Cysteine 267 and cysteine 171
6bx8 C 58 D 14
A redox-regulated disulphide may form between cysteine 121 of Trypsin-3 and cysteine 63 of Tissue factor pathway inhibitor (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 ?
40
PDB code
6bx8
Structure name
human mesotrypsin (prss3) complexed with tissue factor pathway inhibitor variant (tfpi1-kd1-k15r-i17c-i34c)
Structure deposition date
2017-12-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
96
Minimum pKa ?
nan
% buried
nan
Peptide A name
Trypsin-3
Peptide B name
Tissue factor pathway inhibitor
Peptide A accession
P35030
Peptide B accession
P10646
Peptide A residue number
121
Peptide B residue number
63
Ligandability
Cysteine 121 of Trypsin-3
Cysteine 63 of Tissue factor pathway inhibitor
6bx8 E 42 F 17
A redox-regulated disulphide may form between cysteine 105 of Trypsin-3 and cysteine 267 of Tissue factor pathway inhibitor (42 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
6bx8
Structure name
human mesotrypsin (prss3) complexed with tissue factor pathway inhibitor variant (tfpi1-kd1-k15r-i17c-i34c)
Structure deposition date
2017-12-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
96
Minimum pKa ?
nan
% buried
nan
Peptide A name
Trypsin-3
Peptide B name
Tissue factor pathway inhibitor
Peptide A accession
P35030
Peptide B accession
P10646
Peptide A residue number
105
Peptide B residue number
267
Ligandability
Cysteine 105 of Trypsin-3
Cysteine 267 of Tissue factor pathway inhibitor
6bx8 A 42 B 14
A redox-regulated disulphide may form between cysteine 105 of Trypsin-3 and cysteine 63 of Tissue factor pathway inhibitor (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 ?
36
PDB code
6bx8
Structure name
human mesotrypsin (prss3) complexed with tissue factor pathway inhibitor variant (tfpi1-kd1-k15r-i17c-i34c)
Structure deposition date
2017-12-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
98
Minimum pKa ?
nan
% buried
nan
Peptide A name
Trypsin-3
Peptide B name
Tissue factor pathway inhibitor
Peptide A accession
P35030
Peptide B accession
P10646
Peptide A residue number
105
Peptide B residue number
63
Ligandability
Cysteine 105 of Trypsin-3
Cysteine 63 of Tissue factor pathway inhibitor
6bx8 C 191 D 34
A redox-regulated disulphide may form between cysteine 253 of Trypsin-3 and cysteine 171 of Tissue factor pathway inhibitor (191 and 34 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
6bx8
Structure name
human mesotrypsin (prss3) complexed with tissue factor pathway inhibitor variant (tfpi1-kd1-k15r-i17c-i34c)
Structure deposition date
2017-12-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
100
Minimum pKa ?
nan
% buried
nan
Peptide A name
Trypsin-3
Peptide B name
Tissue factor pathway inhibitor
Peptide A accession
P35030
Peptide B accession
P10646
Peptide A residue number
253
Peptide B residue number
171
Ligandability
Cysteine 253 of Trypsin-3
Cysteine 171 of Tissue factor pathway inhibitor
Uncertain whether structure cysteine 34 has been assigned to correct residue.
6bx8 G 220 H 34
A redox-regulated disulphide may form between cysteine 277 of Trypsin-3 and cysteine 171 of Tissue factor pathway inhibitor (220 and 34 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
6bx8
Structure name
human mesotrypsin (prss3) complexed with tissue factor pathway inhibitor variant (tfpi1-kd1-k15r-i17c-i34c)
Structure deposition date
2017-12-18
Thiol separation (Å)
10
Half-sphere exposure sum ?
85
Minimum pKa ?
nan
% buried
nan
Peptide A name
Trypsin-3
Peptide B name
Tissue factor pathway inhibitor
Peptide A accession
P35030
Peptide B accession
P10646
Peptide A residue number
277
Peptide B residue number
171
Ligandability
Cysteine 277 of Trypsin-3
Cysteine 171 of Tissue factor pathway inhibitor
Uncertain whether structure cysteine 34 has been assigned to correct residue.
6bx8 G 191 H 17
A redox-regulated disulphide may form between cysteine 253 of Trypsin-3 and cysteine 267 of Tissue factor pathway inhibitor (191 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 ?
28
PDB code
6bx8
Structure name
human mesotrypsin (prss3) complexed with tissue factor pathway inhibitor variant (tfpi1-kd1-k15r-i17c-i34c)
Structure deposition date
2017-12-18
Thiol separation (Å)
10
Half-sphere exposure sum ?
103
Minimum pKa ?
nan
% buried
nan
Peptide A name
Trypsin-3
Peptide B name
Tissue factor pathway inhibitor
Peptide A accession
P35030
Peptide B accession
P10646
Peptide A residue number
253
Peptide B residue number
267
Ligandability
Cysteine 253 of Trypsin-3
Cysteine 267 of Tissue factor pathway inhibitor
1irh A 33 A 54
A redox-regulated disulphide may form within Tissue factor pathway inhibitor between cysteines 242 and 263 (33 and 54 respectively in this structure).
Details
Redox score ?
87
PDB code
1irh
Structure name
the solution structure of the third kunitz domain of tissue factor pathway inhibitor
Structure deposition date
2001-10-02
Thiol separation (Å)
2
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
P10646
Residue number A
242
Residue number B
263
Peptide name
Tissue factor pathway inhibitor
Ligandability
Cysteine 242 of Tissue factor pathway inhibitor
Cysteine 263 of Tissue factor pathway inhibitor
1tfx C 5 C 55
A redox-regulated disulphide may form within Tissue factor pathway inhibitor between cysteines 125 and 175 (5 and 55 respectively in this structure).
Details
Redox score ?
87
PDB code
1tfx
Structure name
complex of the second kunitz domain of tissue factor pathway inhibitor with porcine trypsin
Structure deposition date
1997-01-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
P10646
Residue number A
125
Residue number B
175
Peptide name
Tissue factor pathway inhibitor
Ligandability
Cysteine 125 of Tissue factor pathway inhibitor
Cysteine 175 of Tissue factor pathway inhibitor
1tfx C 30 C 51
A redox-regulated disulphide may form within Tissue factor pathway inhibitor between cysteines 150 and 171 (30 and 51 respectively in this structure).
Details
Redox score ?
87
PDB code
1tfx
Structure name
complex of the second kunitz domain of tissue factor pathway inhibitor with porcine trypsin
Structure deposition date
1997-01-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
P10646
Residue number A
150
Residue number B
171
Peptide name
Tissue factor pathway inhibitor
Ligandability
Cysteine 150 of Tissue factor pathway inhibitor
Cysteine 171 of Tissue factor pathway inhibitor
5nmv K 26 K 76
A redox-regulated disulphide may form within Tissue factor pathway inhibitor between cysteines 54 and 104 (26 and 76 respectively in this structure).
Details
Redox score ?
86
PDB code
5nmv
Structure name
crystal structure of 2f22 fab fragment against tfpi1
Structure deposition date
2017-04-07
Thiol separation (Å)
2
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
P10646
Residue number A
54
Residue number B
104
Peptide name
Tissue factor pathway inhibitor
Ligandability
Cysteine 54 of Tissue factor pathway inhibitor
Cysteine 104 of Tissue factor pathway inhibitor
6bx8 H 30 H 51
A redox-regulated disulphide may form within Tissue factor pathway inhibitor between cysteines 79 and 100 (30 and 51 respectively in this structure).
Details
Redox score ?
86
PDB code
6bx8
Structure name
human mesotrypsin (prss3) complexed with tissue factor pathway inhibitor variant (tfpi1-kd1-k15r-i17c-i34c)
Structure deposition date
2017-12-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
P10646
Residue number A
79
Residue number B
100
Peptide name
Tissue factor pathway inhibitor
Ligandability
Cysteine 79 of Tissue factor pathway inhibitor
Cysteine 100 of Tissue factor pathway inhibitor
1irh A 8 A 58
A redox-regulated disulphide may form within Tissue factor pathway inhibitor between cysteines 217 and 267 (8 and 58 respectively in this structure).
Details
Redox score ?
86
PDB code
1irh
Structure name
the solution structure of the third kunitz domain of tissue factor pathway inhibitor
Structure deposition date
2001-10-02
Thiol separation (Å)
2
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
P10646
Residue number A
217
Residue number B
267
Peptide name
Tissue factor pathway inhibitor
Ligandability
Cysteine 217 of Tissue factor pathway inhibitor
Cysteine 267 of Tissue factor pathway inhibitor
1irh A 17 A 41
A redox-regulated disulphide may form within Tissue factor pathway inhibitor between cysteines 226 and 250 (17 and 41 respectively in this structure).
Details
Redox score ?
84
PDB code
1irh
Structure name
the solution structure of the third kunitz domain of tissue factor pathway inhibitor
Structure deposition date
2001-10-02
Thiol separation (Å)
2
Half-sphere exposure sum ?
32
Minimum pKa ?
nan
% buried
nan
Peptide accession
P10646
Residue number A
226
Residue number B
250
Peptide name
Tissue factor pathway inhibitor
Ligandability
Cysteine 226 of Tissue factor pathway inhibitor
Cysteine 250 of Tissue factor pathway inhibitor
1tfx C 14 C 38
A redox-regulated disulphide may form within Tissue factor pathway inhibitor between cysteines 134 and 158 (14 and 38 respectively in this structure).
Details
Redox score ?
80
PDB code
1tfx
Structure name
complex of the second kunitz domain of tissue factor pathway inhibitor with porcine trypsin
Structure deposition date
1997-01-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
P10646
Residue number A
134
Residue number B
158
Peptide name
Tissue factor pathway inhibitor
Ligandability
Cysteine 134 of Tissue factor pathway inhibitor
Cysteine 158 of Tissue factor pathway inhibitor
6bx8 H 14 H 38
A redox-regulated disulphide may form within Tissue factor pathway inhibitor between cysteines 63 and 87 (14 and 38 respectively in this structure).
Details
Redox score ?
78
PDB code
6bx8
Structure name
human mesotrypsin (prss3) complexed with tissue factor pathway inhibitor variant (tfpi1-kd1-k15r-i17c-i34c)
Structure deposition date
2017-12-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
P10646
Residue number A
63
Residue number B
87
Peptide name
Tissue factor pathway inhibitor
Ligandability
Cysteine 63 of Tissue factor pathway inhibitor
Cysteine 87 of Tissue factor pathway inhibitor
6bx8 D 51 D 55
A redox-regulated disulphide may form within Tissue factor pathway inhibitor between cysteines 100 and 104 (51 and 55 respectively in this structure).
Details
Redox score ?
74
PDB code
6bx8
Structure name
human mesotrypsin (prss3) complexed with tissue factor pathway inhibitor variant (tfpi1-kd1-k15r-i17c-i34c)
Structure deposition date
2017-12-18
Thiol separation (Å)
5
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
P10646
Residue number A
100
Residue number B
104
Peptide name
Tissue factor pathway inhibitor
Ligandability
Cysteine 100 of Tissue factor pathway inhibitor
Cysteine 104 of Tissue factor pathway inhibitor
1tfx D 51 D 55
A redox-regulated disulphide may form within Tissue factor pathway inhibitor between cysteines 171 and 175 (51 and 55 respectively in this structure).
Details
Redox score ?
71
PDB code
1tfx
Structure name
complex of the second kunitz domain of tissue factor pathway inhibitor with porcine trypsin
Structure deposition date
1997-01-21
Thiol separation (Å)
4
Half-sphere exposure sum ?
60
Minimum pKa ?
11
% buried
30
Peptide accession
P10646
Residue number A
171
Residue number B
175
Peptide name
Tissue factor pathway inhibitor
Ligandability
Cysteine 171 of Tissue factor pathway inhibitor
Cysteine 175 of Tissue factor pathway inhibitor
6bx8 B 30 B 55
A redox-regulated disulphide may form within Tissue factor pathway inhibitor between cysteines 79 and 104 (30 and 55 respectively in this structure).
Details
Redox score ?
66
PDB code
6bx8
Structure name
human mesotrypsin (prss3) complexed with tissue factor pathway inhibitor variant (tfpi1-kd1-k15r-i17c-i34c)
Structure deposition date
2017-12-18
Thiol separation (Å)
6
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
P10646
Residue number A
79
Residue number B
104
Peptide name
Tissue factor pathway inhibitor
Ligandability
Cysteine 79 of Tissue factor pathway inhibitor
Cysteine 104 of Tissue factor pathway inhibitor
1tfx D 30 D 55
A redox-regulated disulphide may form within Tissue factor pathway inhibitor between cysteines 150 and 175 (30 and 55 respectively in this structure).
Details
Redox score ?
65
PDB code
1tfx
Structure name
complex of the second kunitz domain of tissue factor pathway inhibitor with porcine trypsin
Structure deposition date
1997-01-21
Thiol separation (Å)
5
Half-sphere exposure sum ?
61
Minimum pKa ?
12
% buried
24
Peptide accession
P10646
Residue number A
150
Residue number B
175
Peptide name
Tissue factor pathway inhibitor
Ligandability
Cysteine 150 of Tissue factor pathway inhibitor
Cysteine 175 of Tissue factor pathway inhibitor
1tfx D 5 D 51
A redox-regulated disulphide may form within Tissue factor pathway inhibitor between cysteines 125 and 171 (5 and 51 respectively in this structure).
Details
Redox score ?
60
PDB code
1tfx
Structure name
complex of the second kunitz domain of tissue factor pathway inhibitor with porcine trypsin
Structure deposition date
1997-01-21
Thiol separation (Å)
7
Half-sphere exposure sum ?
61
Minimum pKa ?
9
% buried
24
Peptide accession
P10646
Residue number A
125
Residue number B
171
Peptide name
Tissue factor pathway inhibitor
Ligandability
Cysteine 125 of Tissue factor pathway inhibitor
Cysteine 171 of Tissue factor pathway inhibitor
6bx8 B 5 B 51
A redox-regulated disulphide may form within Tissue factor pathway inhibitor between cysteines 54 and 100 (5 and 51 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
59
PDB code
6bx8
Structure name
human mesotrypsin (prss3) complexed with tissue factor pathway inhibitor variant (tfpi1-kd1-k15r-i17c-i34c)
Structure deposition date
2017-12-18
Thiol separation (Å)
7
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
P10646
Residue number A
54
Residue number B
100
Peptide name
Tissue factor pathway inhibitor
Ligandability
Cysteine 54 of Tissue factor pathway inhibitor
Cysteine 100 of Tissue factor pathway inhibitor
1irh A 54 A 58
A redox-regulated disulphide may form within Tissue factor pathway inhibitor between cysteines 263 and 267 (54 and 58 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
59
PDB code
1irh
Structure name
the solution structure of the third kunitz domain of tissue factor pathway inhibitor
Structure deposition date
2001-10-02
Thiol separation (Å)
7
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
P10646
Residue number A
263
Residue number B
267
Peptide name
Tissue factor pathway inhibitor
Ligandability
Cysteine 263 of Tissue factor pathway inhibitor
Cysteine 267 of Tissue factor pathway inhibitor
1tfx D 5 D 30
A redox-regulated disulphide may form within Tissue factor pathway inhibitor between cysteines 125 and 150 (5 and 30 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
57
PDB code
1tfx
Structure name
complex of the second kunitz domain of tissue factor pathway inhibitor with porcine trypsin
Structure deposition date
1997-01-21
Thiol separation (Å)
8
Half-sphere exposure sum ?
62
Minimum pKa ?
9
% buried
18
Peptide accession
P10646
Residue number A
125
Residue number B
150
Peptide name
Tissue factor pathway inhibitor
Ligandability
Cysteine 125 of Tissue factor pathway inhibitor
Cysteine 150 of Tissue factor pathway inhibitor
1irh A 8 A 54
A redox-regulated disulphide may form within Tissue factor pathway inhibitor between cysteines 217 and 263 (8 and 54 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
55
PDB code
1irh
Structure name
the solution structure of the third kunitz domain of tissue factor pathway inhibitor
Structure deposition date
2001-10-02
Thiol separation (Å)
7
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
P10646
Residue number A
217
Residue number B
263
Peptide name
Tissue factor pathway inhibitor
Ligandability
Cysteine 217 of Tissue factor pathway inhibitor
Cysteine 263 of Tissue factor pathway inhibitor
6bx8 B 5 B 30
A redox-regulated disulphide may form within Tissue factor pathway inhibitor between cysteines 54 and 79 (5 and 30 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
6bx8
Structure name
human mesotrypsin (prss3) complexed with tissue factor pathway inhibitor variant (tfpi1-kd1-k15r-i17c-i34c)
Structure deposition date
2017-12-18
Thiol separation (Å)
8
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
P10646
Residue number A
54
Residue number B
79
Peptide name
Tissue factor pathway inhibitor
Ligandability
Cysteine 54 of Tissue factor pathway inhibitor
Cysteine 79 of Tissue factor pathway inhibitor
1irh A 33 A 58
A redox-regulated disulphide may form within Tissue factor pathway inhibitor between cysteines 242 and 267 (33 and 58 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
1irh
Structure name
the solution structure of the third kunitz domain of tissue factor pathway inhibitor
Structure deposition date
2001-10-02
Thiol separation (Å)
8
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
P10646
Residue number A
242
Residue number B
267
Peptide name
Tissue factor pathway inhibitor
Ligandability
Cysteine 242 of Tissue factor pathway inhibitor
Cysteine 267 of Tissue factor pathway inhibitor
1irh A 8 A 33
A redox-regulated disulphide may form within Tissue factor pathway inhibitor between cysteines 217 and 242 (8 and 33 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
47
PDB code
1irh
Structure name
the solution structure of the third kunitz domain of tissue factor pathway inhibitor
Structure deposition date
2001-10-02
Thiol separation (Å)
9
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
P10646
Residue number A
217
Residue number B
242
Peptide name
Tissue factor pathway inhibitor
Ligandability
Cysteine 217 of Tissue factor pathway inhibitor
Cysteine 242 of Tissue factor pathway inhibitor
6bx8 B 17 B 34
A redox-regulated disulphide may form within Tissue factor pathway inhibitor between cysteines 267 and 171 (17 and 34 respectively in this structure).
Details
Redox score ?
nan
PDB code
6bx8
Structure name
human mesotrypsin (prss3) complexed with tissue factor pathway inhibitor variant (tfpi1-kd1-k15r-i17c-i34c)
Structure deposition date
2017-12-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
83
Minimum pKa ?
nan
% buried
nan
Peptide accession
P10646
Residue number A
267
Residue number B
171
Peptide name
Tissue factor pathway inhibitor
Ligandability
Cysteine 267 of Tissue factor pathway inhibitor
Cysteine 171 of Tissue factor pathway inhibitor
Uncertain whether structure cysteine 34 has been assigned to correct residue.
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