ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Tubulin beta-3 chain

Intramolecular
Cysteine 124 and cysteine 127 L
Cysteine 127 and cysteine 129 L
Cysteine 124 and cysteine 129 L
Cysteine 201 and cysteine 303
A redox-regulated disulphide may form within Tubulin beta-3 chain between cysteines 124 and 127 (126 and 129 respectively in this structure).

Details

Redox score ?
62
PDB code
7pjf
Structure name
inhibiting parasite proliferation using a rationally designed anti- tubulin agent
Structure deposition date
2021-08-24
Thiol separation (Å)
6
Half-sphere exposure sum ?
53
Minimum pKa ?
11
% buried
68
Peptide accession
Q13509
Residue number A
124
Residue number B
127
Peptide name
Tubulin beta-3 chain

Ligandability

Cysteine 124 of Tubulin beta-3 chain

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 127 of Tubulin beta-3 chain

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 Tubulin beta-3 chain between cysteines 127 and 129 (129 and 131 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
7alr
Structure name
crystal structure of td1-gatorbulin1 complex
Structure deposition date
2020-10-07
Thiol separation (Å)
9
Half-sphere exposure sum ?
48
Minimum pKa ?
10
% buried
56
Peptide accession
Q2T9S0
Residue number A
127
Residue number B
129
Peptide name
Tubulin beta-3 chain

Ligandability

Cysteine 127 of Tubulin beta-3 chain

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 129 of Tubulin beta-3 chain

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 Tubulin beta-3 chain between cysteines 124 and 129. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
7m18
Structure name
hela-tubulin in complex with cryptophycin 1
Structure deposition date
2021-03-12
Thiol separation (Å)
10
Half-sphere exposure sum ?
50
Minimum pKa ?
11
% buried
44
Peptide accession
Q13509
Residue number A
124
Residue number B
129
Peptide name
Tubulin beta-3 chain

Ligandability

Cysteine 124 of Tubulin beta-3 chain

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 129 of Tubulin beta-3 chain

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 Tubulin beta-3 chain between cysteines 201 and 303 (203 and 305 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
7alr
Structure name
crystal structure of td1-gatorbulin1 complex
Structure deposition date
2020-10-07
Thiol separation (Å)
8
Half-sphere exposure sum ?
89
Minimum pKa ?
13
% buried
100
Peptide accession
Q2T9S0
Residue number A
201
Residue number B
303
Peptide name
Tubulin beta-3 chain

Ligandability

Cysteine 201 of Tubulin beta-3 chain

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 303 of Tubulin beta-3 chain

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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