ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Serine protease inhibitor Kazal-type 2

Intramolecular
Cysteine 52 and cysteine 84
Cysteine 36 and cysteine 66
Cysteine 44 and cysteine 63
Cysteine 44 and cysteine 66
Cysteine 36 and cysteine 44
Cysteine 36 and cysteine 63
Cysteine 63 and cysteine 66
A redox-regulated disulphide may form within Serine protease inhibitor Kazal-type 2 between cysteines 52 and 84 (30 and 62 respectively in this structure).

Details

Redox score ?
86
PDB code
2jxd
Structure name
nmr structure of human serine protease inhibitor kazal type ii (spink2)
Structure deposition date
2007-11-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20155
Residue number A
52
Residue number B
84
Peptide name
Serine protease inhibitor Kazal-type 2

Ligandability

Cysteine 52 of Serine protease inhibitor Kazal-type 2

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 84 of Serine protease inhibitor Kazal-type 2

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 Serine protease inhibitor Kazal-type 2 between cysteines 36 and 66 (14 and 44 respectively in this structure).

Details

Redox score ?
86
PDB code
2jxd
Structure name
nmr structure of human serine protease inhibitor kazal type ii (spink2)
Structure deposition date
2007-11-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
55
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20155
Residue number A
36
Residue number B
66
Peptide name
Serine protease inhibitor Kazal-type 2

Ligandability

Cysteine 36 of Serine protease inhibitor Kazal-type 2

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 66 of Serine protease inhibitor Kazal-type 2

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 Serine protease inhibitor Kazal-type 2 between cysteines 44 and 63 (22 and 41 respectively in this structure).

Details

Redox score ?
85
PDB code
2jxd
Structure name
nmr structure of human serine protease inhibitor kazal type ii (spink2)
Structure deposition date
2007-11-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
43
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20155
Residue number A
44
Residue number B
63
Peptide name
Serine protease inhibitor Kazal-type 2

Ligandability

Cysteine 44 of Serine protease inhibitor Kazal-type 2

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 Serine protease inhibitor Kazal-type 2

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 Serine protease inhibitor Kazal-type 2 between cysteines 44 and 66 (22 and 44 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
2jxd
Structure name
nmr structure of human serine protease inhibitor kazal type ii (spink2)
Structure deposition date
2007-11-15
Thiol separation (Å)
8
Half-sphere exposure sum ?
48
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20155
Residue number A
44
Residue number B
66
Peptide name
Serine protease inhibitor Kazal-type 2

Ligandability

Cysteine 44 of Serine protease inhibitor Kazal-type 2

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 66 of Serine protease inhibitor Kazal-type 2

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 Serine protease inhibitor Kazal-type 2 between cysteines 36 and 44 (14 and 22 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
2jxd
Structure name
nmr structure of human serine protease inhibitor kazal type ii (spink2)
Structure deposition date
2007-11-15
Thiol separation (Å)
9
Half-sphere exposure sum ?
42
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20155
Residue number A
36
Residue number B
44
Peptide name
Serine protease inhibitor Kazal-type 2

Ligandability

Cysteine 36 of Serine protease inhibitor Kazal-type 2

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 44 of Serine protease inhibitor Kazal-type 2

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 Serine protease inhibitor Kazal-type 2 between cysteines 36 and 63 (14 and 41 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
2jxd
Structure name
nmr structure of human serine protease inhibitor kazal type ii (spink2)
Structure deposition date
2007-11-15
Thiol separation (Å)
9
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20155
Residue number A
36
Residue number B
63
Peptide name
Serine protease inhibitor Kazal-type 2

Ligandability

Cysteine 36 of Serine protease inhibitor Kazal-type 2

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 Serine protease inhibitor Kazal-type 2

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 Serine protease inhibitor Kazal-type 2 between cysteines 63 and 66 (41 and 44 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
2jxd
Structure name
nmr structure of human serine protease inhibitor kazal type ii (spink2)
Structure deposition date
2007-11-15
Thiol separation (Å)
9
Half-sphere exposure sum ?
56
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20155
Residue number A
63
Residue number B
66
Peptide name
Serine protease inhibitor Kazal-type 2

Ligandability

Cysteine 63 of Serine protease inhibitor Kazal-type 2

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 66 of Serine protease inhibitor Kazal-type 2

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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