ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Titin

Intermolecular
Cysteine 32733 and cysteine 32733
Intramolecular
Cysteine 2109 and cysteine 2134
Cysteine 32516 and cysteine 32568
Cysteine 31481 and cysteine 31532
Cysteine 9693 and cysteine 9743
Cysteine 33314 and cysteine 33363
Cysteine 9782 and cysteine 9814
Cysteine 12723 and cysteine 12739
Cysteine 2903 and cysteine 2955
A redox-regulated disulphide may form between two units of Titin at cysteines 32733 and 32733 (22 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 ?
32
PDB code
6hci
Structure name
crystal structure of titin m3 domain
Structure deposition date
2018-08-15
Thiol separation (Å)
10
Half-sphere exposure sum ?
81
Minimum pKa ?
11
% buried
70
Peptide A name
Titin
Peptide B name
Titin
Peptide A accession
Q8WZ42
Peptide B accession
Q8WZ42
Peptide A residue number
32733
Peptide B residue number
32733

Ligandability

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 Titin between cysteines 2109 and 2134 (37 and 62 respectively in this structure).

Details

Redox score ?
83
PDB code
1g1c
Structure name
i1 domain from titin
Structure deposition date
2000-10-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
72
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q10466
Residue number A
2109
Residue number B
2134
Peptide name
Titin

Ligandability

Cysteine 2109 of Titin

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 2134 of Titin

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 Titin between cysteines 32516 and 32568 (22 and 74 respectively in this structure).

Details

Redox score ?
75
PDB code
2bk8
Structure name
m1 domain from titin
Structure deposition date
2005-02-11
Thiol separation (Å)
4
Half-sphere exposure sum ?
77
Minimum pKa ?
7
% buried
64
Peptide accession
Q8WZ42
Residue number A
32516
Residue number B
32568
Peptide name
Titin

Ligandability

Cysteine 32516 of Titin

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 32568 of Titin

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 Titin between cysteines 31481 and 31532 (29 and 80 respectively in this structure).

Details

Redox score ?
73
PDB code
3lcy
Structure name
titin ig tandem domains a164-a165
Structure deposition date
2010-01-12
Thiol separation (Å)
4
Half-sphere exposure sum ?
83
Minimum pKa ?
8
% buried
78
Peptide accession
Q8WZ42
Residue number A
31481
Residue number B
31532
Peptide name
Titin

Ligandability

Cysteine 31481 of Titin

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 31532 of Titin

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 Titin between cysteines 9693 and 9743 (112 and 162 respectively in this structure).

Details

Redox score ?
69
PDB code
7ahs
Structure name
titin-n2a ig81-ig83
Structure deposition date
2020-09-25
Thiol separation (Å)
4
Half-sphere exposure sum ?
82
Minimum pKa ?
8
% buried
84
Peptide accession
Q8WZ42
Residue number A
9693
Residue number B
9743
Peptide name
Titin

Ligandability

Cysteine 9693 of Titin

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 9743 of Titin

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 Titin between cysteines 33314 and 33363 (22 and 71 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
6h4l
Structure name
structure of titin m4 trigonal form
Structure deposition date
2018-07-21
Thiol separation (Å)
9
Half-sphere exposure sum ?
45
Minimum pKa ?
9
% buried
12
Peptide accession
Q8WZ42
Residue number A
33314
Residue number B
33363
Peptide name
Titin

Ligandability

Cysteine 33314 of Titin

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 33363 of Titin

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 Titin between cysteines 9782 and 9814 (201 and 233 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
7ahs
Structure name
titin-n2a ig81-ig83
Structure deposition date
2020-09-25
Thiol separation (Å)
8
Half-sphere exposure sum ?
63
Minimum pKa ?
9
% buried
31
Peptide accession
Q8WZ42
Residue number A
9782
Residue number B
9814
Peptide name
Titin

Ligandability

Cysteine 9782 of Titin

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 9814 of Titin

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 Titin between cysteines 12723 and 12739 (47 and 63 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
1tiu
Structure name
titin, ig repeat 27, nmr, 24 structures
Structure deposition date
1996-02-02
Thiol separation (Å)
8
Half-sphere exposure sum ?
56
Minimum pKa ?
10
% buried
34
Peptide accession
Q10466
Residue number A
12723
Residue number B
12739
Peptide name
Titin

Ligandability

Cysteine 12723 of Titin

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 12739 of Titin

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 Titin between cysteines 2903 and 2955 (27 and 79 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
5jdj
Structure name
crystal structure of domain i10 from titin in space group p212121
Structure deposition date
2016-04-16
Thiol separation (Å)
9
Half-sphere exposure sum ?
87
Minimum pKa ?
13
% buried
97
Peptide accession
Q8WZ42
Residue number A
2903
Residue number B
2955
Peptide name
Titin

Ligandability

Cysteine 2903 of Titin

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 2955 of Titin

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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