ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Tubulin beta-2B chain

Intramolecular
Cysteine 239 and cysteine 354 L
Cysteine 127 and cysteine 129 L
Cysteine 127 and cysteine 294
Cysteine 201 and cysteine 303 L
Cysteine 303 and cysteine 347 L
Cysteine 294 and cysteine 297
Cysteine 72 and cysteine 294
A redox-regulated disulphide may form within Tubulin beta-2B chain between cysteines 239 and 354. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
6e7c
Structure name
14-pf 3-start gmpcpp-human alpha1b/beta2b microtubules
Structure deposition date
2018-07-25
Thiol separation (Å)
5
Half-sphere exposure sum ?
79
Minimum pKa ?
12
% buried
100
Peptide accession
Q9BVA1
Residue number A
239
Residue number B
354
Peptide name
Tubulin beta-2B chain

Ligandability

Cysteine 239 of Tubulin beta-2B 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.

Ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 354 of Tubulin beta-2B 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.

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-2B chain between cysteines 127 and 129. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
6e7c
Structure name
14-pf 3-start gmpcpp-human alpha1b/beta2b microtubules
Structure deposition date
2018-07-25
Thiol separation (Å)
7
Half-sphere exposure sum ?
46
Minimum pKa ?
10
% buried
52
Peptide accession
Q9BVA1
Residue number A
127
Residue number B
129
Peptide name
Tubulin beta-2B chain

Ligandability

Cysteine 127 of Tubulin beta-2B 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-2B chain

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

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-2B chain between cysteines 127 and 294 (91 and 294 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
5j2u
Structure name
tubulin-mmaf complex
Structure deposition date
2016-03-30
Thiol separation (Å)
8
Half-sphere exposure sum ?
58
Minimum pKa ?
10
% buried
74
Peptide accession
Q6B856
Residue number A
127
Residue number B
294
Peptide name
Tubulin beta-2B chain

Ligandability

Cysteine 127 of Tubulin beta-2B 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 294 of Tubulin beta-2B 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 294 in protein B could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within Tubulin beta-2B chain between cysteines 201 and 303. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
6e7c
Structure name
14-pf 3-start gmpcpp-human alpha1b/beta2b microtubules
Structure deposition date
2018-07-25
Thiol separation (Å)
9
Half-sphere exposure sum ?
82
Minimum pKa ?
12
% buried
98
Peptide accession
Q9BVA1
Residue number A
201
Residue number B
303
Peptide name
Tubulin beta-2B chain

Ligandability

Cysteine 201 of Tubulin beta-2B 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-2B 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.

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-2B chain between cysteines 303 and 347 (338 and 347 respectively in this structure).

Details

Redox score ?
nan
PDB code
5j2u
Structure name
tubulin-mmaf complex
Structure deposition date
2016-03-30
Thiol separation (Å)
6
Half-sphere exposure sum ?
65
Minimum pKa ?
12
% buried
72
Peptide accession
Q6B856
Residue number A
303
Residue number B
347
Peptide name
Tubulin beta-2B chain

Ligandability

Cysteine 303 of Tubulin beta-2B 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.

Ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 347 of Tubulin beta-2B 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.

Uncertain whether structure cysteine 338 has been assigned to correct residue.
Cysteine 347 in protein B could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within Tubulin beta-2B chain between cysteines 294 and 297.

Details

Redox score ?
nan
PDB code
5j2u
Structure name
tubulin-mmaf complex
Structure deposition date
2016-03-30
Thiol separation (Å)
8
Half-sphere exposure sum ?
66
Minimum pKa ?
10
% buried
78
Peptide accession
Q6B856
Residue number A
294
Residue number B
297
Peptide name
Tubulin beta-2B chain

Ligandability

Cysteine 294 of Tubulin beta-2B 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 297 of Tubulin beta-2B 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 294 in protein A could not be asigned to a Uniprot residue.
Cysteine 297 in protein B could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within Tubulin beta-2B chain between cysteines 72 and 294.

Details

Redox score ?
nan
PDB code
5j2u
Structure name
tubulin-mmaf complex
Structure deposition date
2016-03-30
Thiol separation (Å)
10
Half-sphere exposure sum ?
70
Minimum pKa ?
12
% buried
100
Peptide accession
Q6B856
Residue number A
72
Residue number B
294
Peptide name
Tubulin beta-2B chain

Ligandability

Cysteine 72 of Tubulin beta-2B 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 294 of Tubulin beta-2B 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 72 in protein A could not be asigned to a Uniprot residue.
Cysteine 294 in protein B could not be asigned to a Uniprot residue.
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