ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Gamma-crystallin S

Intermolecular
Cysteine 25 and cysteine 25
Cysteine 25 and cysteine 23
Intramolecular
Cysteine 23 and cysteine 83
Cysteine 23 and cysteine 27
Cysteine 27 and cysteine 83
Cysteine 23 and cysteine 25
Cysteine 27 and cysteine 37
Cysteine 25 and cysteine 27
Cysteine 23 and cysteine 37
Cysteine 25 and cysteine 83
Cysteine 37 and cysteine 83
A redox-regulated disulphide may form between two units of Gamma-crystallin S at cysteines 25 and 25.

Details

Redox score ?
80
PDB code
7nje
Structure name
gamma(s)-crystallin 9-site deamidation mutant grown inside hare serial crystallography chip
Structure deposition date
2021-02-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide A name
Gamma-crystallin S
Peptide B name
Gamma-crystallin S
Peptide A accession
P22914
Peptide B accession
P22914
Peptide A residue number
25
Peptide B residue number
25

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 between two units of Gamma-crystallin S at cysteines 25 and 23. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
7nje
Structure name
gamma(s)-crystallin 9-site deamidation mutant grown inside hare serial crystallography chip
Structure deposition date
2021-02-16
Thiol separation (Å)
8
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide A name
Gamma-crystallin S
Peptide B name
Gamma-crystallin S
Peptide A accession
P22914
Peptide B accession
P22914
Peptide A residue number
25
Peptide B residue number
23

Ligandability

Cysteine 25 of Gamma-crystallin S

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 23 of Gamma-crystallin S

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 Gamma-crystallin S between cysteines 23 and 83.

Details

Redox score ?
68
PDB code
7n3b
Structure name
crystal structure of aged 9-site deamidated variant of human gamma(s)- crystallin
Structure deposition date
2021-05-31
Thiol separation (Å)
4
Half-sphere exposure sum ?
71
Minimum pKa ?
13
% buried
nan
Peptide accession
P22914
Residue number A
23
Residue number B
83
Peptide name
Gamma-crystallin S

Ligandability

Cysteine 23 of Gamma-crystallin S

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 83 of Gamma-crystallin S

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 Gamma-crystallin S between cysteines 23 and 27.

Details

Redox score ?
64
PDB code
7n39
Structure name
crystal structure of 7-site deamidated variant of human gamma(s)- crystallin
Structure deposition date
2021-05-31
Thiol separation (Å)
4
Half-sphere exposure sum ?
59
Minimum pKa ?
13
% buried
54
Peptide accession
P22914
Residue number A
23
Residue number B
27
Peptide name
Gamma-crystallin S

Ligandability

Cysteine 23 of Gamma-crystallin S

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 27 of Gamma-crystallin S

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 Gamma-crystallin S between cysteines 27 and 83.

Details

Redox score ?
61
PDB code
7n38
Structure name
crystal structure of 5-site deamidated variant of human gamma(s)- crystallin
Structure deposition date
2021-05-31
Thiol separation (Å)
4
Half-sphere exposure sum ?
69
Minimum pKa ?
14
% buried
44
Peptide accession
P22914
Residue number A
27
Residue number B
83
Peptide name
Gamma-crystallin S

Ligandability

Cysteine 27 of Gamma-crystallin S

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 83 of Gamma-crystallin S

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 Gamma-crystallin S between cysteines 23 and 25 (22 and 24 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
6myg
Structure name
mouse gamma s crystallin l16 octamer
Structure deposition date
2018-11-01
Thiol separation (Å)
8
Half-sphere exposure sum ?
58
Minimum pKa ?
10
% buried
nan
Peptide accession
O35486
Residue number A
23
Residue number B
25
Peptide name
Gamma-crystallin S

Ligandability

Cysteine 23 of Gamma-crystallin S

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 25 of Gamma-crystallin S

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 Gamma-crystallin S between cysteines 27 and 37 (26 and 36 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
2a5m
Structure name
nmr structure of murine gamma-s crystallin from joint refinement with saxs data
Structure deposition date
2005-06-30
Thiol separation (Å)
9
Half-sphere exposure sum ?
70
Minimum pKa ?
9
% buried
62
Peptide accession
O35486
Residue number A
27
Residue number B
37
Peptide name
Gamma-crystallin S

Ligandability

Cysteine 27 of Gamma-crystallin S

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 37 of Gamma-crystallin S

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 Gamma-crystallin S between cysteines 25 and 27. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
7n3b
Structure name
crystal structure of aged 9-site deamidated variant of human gamma(s)- crystallin
Structure deposition date
2021-05-31
Thiol separation (Å)
9
Half-sphere exposure sum ?
58
Minimum pKa ?
12
% buried
nan
Peptide accession
P22914
Residue number A
25
Residue number B
27
Peptide name
Gamma-crystallin S

Ligandability

Cysteine 25 of Gamma-crystallin S

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 27 of Gamma-crystallin S

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 Gamma-crystallin S between cysteines 23 and 37 (22 and 36 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
2a5m
Structure name
nmr structure of murine gamma-s crystallin from joint refinement with saxs data
Structure deposition date
2005-06-30
Thiol separation (Å)
9
Half-sphere exposure sum ?
73
Minimum pKa ?
10
% buried
69
Peptide accession
O35486
Residue number A
23
Residue number B
37
Peptide name
Gamma-crystallin S

Ligandability

Cysteine 23 of Gamma-crystallin S

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 37 of Gamma-crystallin S

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 Gamma-crystallin S between cysteines 25 and 83. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
7n3b
Structure name
crystal structure of aged 9-site deamidated variant of human gamma(s)- crystallin
Structure deposition date
2021-05-31
Thiol separation (Å)
9
Half-sphere exposure sum ?
68
Minimum pKa ?
12
% buried
68
Peptide accession
P22914
Residue number A
25
Residue number B
83
Peptide name
Gamma-crystallin S

Ligandability

Cysteine 25 of Gamma-crystallin S

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 83 of Gamma-crystallin S

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 Gamma-crystallin S between cysteines 37 and 83 (36 and 82 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
6fd8
Structure name
gamma-s crystallin dimer
Structure deposition date
2017-12-22
Thiol separation (Å)
10
Half-sphere exposure sum ?
82
Minimum pKa ?
12
% buried
91
Peptide accession
P22914
Residue number A
37
Residue number B
83
Peptide name
Gamma-crystallin S

Ligandability

Cysteine 37 of Gamma-crystallin S

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 83 of Gamma-crystallin S

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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