Kunitz-type protease inhibitor 2
Intermolecular
Cysteine 47 and cysteine 121 of Trypsin-3
Cysteine 47 and cysteine 105 of Trypsin-3
Intramolecular
Cysteine 38 and cysteine 88
Cysteine 63 and cysteine 84
Cysteine 47 and cysteine 71
Cysteine 84 and cysteine 88
Cysteine 63 and cysteine 88
Cysteine 38 and cysteine 84
Cysteine 38 and cysteine 63
4u32 X 14 A 58
A redox-regulated disulphide may form between cysteine 47 of Kunitz-type protease inhibitor 2 and cysteine 121 of Trypsin-3 (14 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 ?
41
PDB code
4u32
Structure name
human mesotrypsin complexed with hai-2 kunitz domain 1
Structure deposition date
2014-07-18
Thiol separation (Å)
8
Half-sphere exposure sum ?
93
Minimum pKa ?
nan
% buried
nan
Peptide A name
Kunitz-type protease inhibitor 2
Peptide B name
Trypsin-3
Peptide A accession
O43291
Peptide B accession
P35030
Peptide A residue number
47
Peptide B residue number
121
Ligandability
Cysteine 47 of Kunitz-type protease inhibitor 2
Cysteine 121 of Trypsin-3
4u32 X 14 A 42
A redox-regulated disulphide may form between cysteine 47 of Kunitz-type protease inhibitor 2 and cysteine 105 of Trypsin-3 (14 and 42 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
37
PDB code
4u32
Structure name
human mesotrypsin complexed with hai-2 kunitz domain 1
Structure deposition date
2014-07-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
96
Minimum pKa ?
nan
% buried
nan
Peptide A name
Kunitz-type protease inhibitor 2
Peptide B name
Trypsin-3
Peptide A accession
O43291
Peptide B accession
P35030
Peptide A residue number
47
Peptide B residue number
105
Ligandability
Cysteine 47 of Kunitz-type protease inhibitor 2
Cysteine 105 of Trypsin-3
4u32 X 5 X 55
A redox-regulated disulphide may form within Kunitz-type protease inhibitor 2 between cysteines 38 and 88 (5 and 55 respectively in this structure).
Details
Redox score ?
90
PDB code
4u32
Structure name
human mesotrypsin complexed with hai-2 kunitz domain 1
Structure deposition date
2014-07-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
O43291
Residue number A
38
Residue number B
88
Peptide name
Kunitz-type protease inhibitor 2
Ligandability
Cysteine 38 of Kunitz-type protease inhibitor 2
Cysteine 88 of Kunitz-type protease inhibitor 2
4u32 X 30 X 51
A redox-regulated disulphide may form within Kunitz-type protease inhibitor 2 between cysteines 63 and 84 (30 and 51 respectively in this structure).
Details
Redox score ?
88
PDB code
4u32
Structure name
human mesotrypsin complexed with hai-2 kunitz domain 1
Structure deposition date
2014-07-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
O43291
Residue number A
63
Residue number B
84
Peptide name
Kunitz-type protease inhibitor 2
Ligandability
Cysteine 63 of Kunitz-type protease inhibitor 2
Cysteine 84 of Kunitz-type protease inhibitor 2
4u32 X 14 X 38
A redox-regulated disulphide may form within Kunitz-type protease inhibitor 2 between cysteines 47 and 71 (14 and 38 respectively in this structure).
Details
Redox score ?
78
PDB code
4u32
Structure name
human mesotrypsin complexed with hai-2 kunitz domain 1
Structure deposition date
2014-07-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide accession
O43291
Residue number A
47
Residue number B
71
Peptide name
Kunitz-type protease inhibitor 2
Ligandability
Cysteine 47 of Kunitz-type protease inhibitor 2
Cysteine 71 of Kunitz-type protease inhibitor 2
4u32 X 51 X 55
A redox-regulated disulphide may form within Kunitz-type protease inhibitor 2 between cysteines 84 and 88 (51 and 55 respectively in this structure).
Details
Redox score ?
73
PDB code
4u32
Structure name
human mesotrypsin complexed with hai-2 kunitz domain 1
Structure deposition date
2014-07-18
Thiol separation (Å)
5
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
O43291
Residue number A
84
Residue number B
88
Peptide name
Kunitz-type protease inhibitor 2
Ligandability
Cysteine 84 of Kunitz-type protease inhibitor 2
Cysteine 88 of Kunitz-type protease inhibitor 2
4u32 X 30 X 55
A redox-regulated disulphide may form within Kunitz-type protease inhibitor 2 between cysteines 63 and 88 (30 and 55 respectively in this structure).
Details
Redox score ?
68
PDB code
4u32
Structure name
human mesotrypsin complexed with hai-2 kunitz domain 1
Structure deposition date
2014-07-18
Thiol separation (Å)
6
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
O43291
Residue number A
63
Residue number B
88
Peptide name
Kunitz-type protease inhibitor 2
Ligandability
Cysteine 63 of Kunitz-type protease inhibitor 2
Cysteine 88 of Kunitz-type protease inhibitor 2
4u32 X 5 X 51
A redox-regulated disulphide may form within Kunitz-type protease inhibitor 2 between cysteines 38 and 84 (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 ?
58
PDB code
4u32
Structure name
human mesotrypsin complexed with hai-2 kunitz domain 1
Structure deposition date
2014-07-18
Thiol separation (Å)
7
Half-sphere exposure sum ?
54
Minimum pKa ?
nan
% buried
nan
Peptide accession
O43291
Residue number A
38
Residue number B
84
Peptide name
Kunitz-type protease inhibitor 2
Ligandability
Cysteine 38 of Kunitz-type protease inhibitor 2
Cysteine 84 of Kunitz-type protease inhibitor 2
4u32 X 5 X 30
A redox-regulated disulphide may form within Kunitz-type protease inhibitor 2 between cysteines 38 and 63 (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 ?
53
PDB code
4u32
Structure name
human mesotrypsin complexed with hai-2 kunitz domain 1
Structure deposition date
2014-07-18
Thiol separation (Å)
8
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
O43291
Residue number A
38
Residue number B
63
Peptide name
Kunitz-type protease inhibitor 2
Ligandability
Cysteine 38 of Kunitz-type protease inhibitor 2
Cysteine 63 of Kunitz-type protease inhibitor 2
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