ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Neurotrypsin

Intramolecular
Cysteine 455 and cysteine 465
Cysteine 85 and cysteine 157
Cysteine 130 and cysteine 155
Cysteine 411 and cysteine 475
Cysteine 424 and cysteine 485
Cysteine 101 and cysteine 141
Cysteine 101 and cysteine 130
Cysteine 141 and cysteine 155
Cysteine 130 and cysteine 141
Cysteine 101 and cysteine 155
More...
Cysteine 85 and cysteine 155
Cysteine 155 and cysteine 157
A redox-regulated disulphide may form within Neurotrypsin between cysteines 455 and 465.

Details

Redox score ?
88
PDB code
6h8m
Structure name
crystal structure of the third srcr domain of murine neurotrypsin
Structure deposition date
2018-08-02
Thiol separation (Å)
2
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide accession
O08762
Residue number A
455
Residue number B
465
Peptide name
Neurotrypsin

Ligandability

Cysteine 455 of Neurotrypsin

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 465 of Neurotrypsin

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 Neurotrypsin between cysteines 85 and 157 (2 and 74 respectively in this structure).

Details

Redox score ?
88
PDB code
2k4r
Structure name
nmr solution structure of the neurotrypsin kringle domain
Structure deposition date
2008-06-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
41
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q99JC8
Residue number A
85
Residue number B
157
Peptide name
Neurotrypsin

Ligandability

Cysteine 85 of Neurotrypsin

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 157 of Neurotrypsin

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 Neurotrypsin between cysteines 130 and 155 (47 and 72 respectively in this structure).

Details

Redox score ?
84
PDB code
2k4r
Structure name
nmr solution structure of the neurotrypsin kringle domain
Structure deposition date
2008-06-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q99JC8
Residue number A
130
Residue number B
155
Peptide name
Neurotrypsin

Ligandability

Cysteine 130 of Neurotrypsin

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 155 of Neurotrypsin

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 Neurotrypsin between cysteines 411 and 475.

Details

Redox score ?
83
PDB code
6h8m
Structure name
crystal structure of the third srcr domain of murine neurotrypsin
Structure deposition date
2018-08-02
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
O08762
Residue number A
411
Residue number B
475
Peptide name
Neurotrypsin

Ligandability

Cysteine 411 of Neurotrypsin

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 475 of Neurotrypsin

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 Neurotrypsin between cysteines 424 and 485.

Details

Redox score ?
83
PDB code
6h8m
Structure name
crystal structure of the third srcr domain of murine neurotrypsin
Structure deposition date
2018-08-02
Thiol separation (Å)
2
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
O08762
Residue number A
424
Residue number B
485
Peptide name
Neurotrypsin

Ligandability

Cysteine 424 of Neurotrypsin

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 485 of Neurotrypsin

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 Neurotrypsin between cysteines 101 and 141 (18 and 58 respectively in this structure).

Details

Redox score ?
81
PDB code
2k4r
Structure name
nmr solution structure of the neurotrypsin kringle domain
Structure deposition date
2008-06-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
85
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q99JC8
Residue number A
101
Residue number B
141
Peptide name
Neurotrypsin

Ligandability

Cysteine 101 of Neurotrypsin

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 141 of Neurotrypsin

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 Neurotrypsin between cysteines 101 and 130 (18 and 47 respectively in this structure).

Details

Redox score ?
71
PDB code
2k51
Structure name
nmr solution structure of the neurotrypsin kringle domain
Structure deposition date
2008-06-23
Thiol separation (Å)
4
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q99JC8
Residue number A
101
Residue number B
130
Peptide name
Neurotrypsin

Ligandability

Cysteine 101 of Neurotrypsin

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 130 of Neurotrypsin

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 Neurotrypsin between cysteines 141 and 155 (58 and 72 respectively in this structure).

Details

Redox score ?
69
PDB code
2k51
Structure name
nmr solution structure of the neurotrypsin kringle domain
Structure deposition date
2008-06-23
Thiol separation (Å)
4
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q99JC8
Residue number A
141
Residue number B
155
Peptide name
Neurotrypsin

Ligandability

Cysteine 141 of Neurotrypsin

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 155 of Neurotrypsin

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 Neurotrypsin between cysteines 130 and 141 (47 and 58 respectively in this structure).

Details

Redox score ?
68
PDB code
2k51
Structure name
nmr solution structure of the neurotrypsin kringle domain
Structure deposition date
2008-06-23
Thiol separation (Å)
5
Half-sphere exposure sum ?
81
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q99JC8
Residue number A
130
Residue number B
141
Peptide name
Neurotrypsin

Ligandability

Cysteine 130 of Neurotrypsin

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 141 of Neurotrypsin

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 Neurotrypsin between cysteines 101 and 155 (18 and 72 respectively in this structure).

Details

Redox score ?
67
PDB code
2k51
Structure name
nmr solution structure of the neurotrypsin kringle domain
Structure deposition date
2008-06-23
Thiol separation (Å)
5
Half-sphere exposure sum ?
75
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q99JC8
Residue number A
101
Residue number B
155
Peptide name
Neurotrypsin

Ligandability

Cysteine 101 of Neurotrypsin

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 155 of Neurotrypsin

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 Neurotrypsin between cysteines 85 and 155 (2 and 72 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
2k4r
Structure name
nmr solution structure of the neurotrypsin kringle domain
Structure deposition date
2008-06-16
Thiol separation (Å)
10
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q99JC8
Residue number A
85
Residue number B
155
Peptide name
Neurotrypsin

Ligandability

Cysteine 85 of Neurotrypsin

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 155 of Neurotrypsin

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 Neurotrypsin between cysteines 155 and 157 (72 and 74 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
2k4r
Structure name
nmr solution structure of the neurotrypsin kringle domain
Structure deposition date
2008-06-16
Thiol separation (Å)
10
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q99JC8
Residue number A
155
Residue number B
157
Peptide name
Neurotrypsin

Ligandability

Cysteine 155 of Neurotrypsin

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 157 of Neurotrypsin

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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