ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Tubulin beta chain

Intramolecular
Cysteine 239 and cysteine 354
Cysteine 127 and cysteine 129
Cysteine 201 and cysteine 303
A redox-regulated disulphide may form within Tubulin beta chain between cysteines 239 and 354 (241 and 356 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
6qve
Structure name
ngckk (naegleria gruberi ckk) decorated 14pf taxol-gdp microtubule
Structure deposition date
2019-03-01
Thiol separation (Å)
6
Half-sphere exposure sum ?
71
Minimum pKa ?
11
% buried
98
Peptide accession
A0A2K5HGL3
Residue number A
239
Residue number B
354
Peptide name
Tubulin beta chain

Ligandability

Cysteine 239 of Tubulin beta 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 354 of Tubulin beta 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 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 ?
36
PDB code
6qve
Structure name
ngckk (naegleria gruberi ckk) decorated 14pf taxol-gdp microtubule
Structure deposition date
2019-03-01
Thiol separation (Å)
9
Half-sphere exposure sum ?
54
Minimum pKa ?
12
% buried
83
Peptide accession
A0A2K5HGL3
Residue number A
127
Residue number B
129
Peptide name
Tubulin beta chain

Ligandability

Cysteine 127 of Tubulin beta 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 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 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 ?
26
PDB code
6qve
Structure name
ngckk (naegleria gruberi ckk) decorated 14pf taxol-gdp microtubule
Structure deposition date
2019-03-01
Thiol separation (Å)
10
Half-sphere exposure sum ?
82
Minimum pKa ?
13
% buried
96
Peptide accession
A0A2K5HGL3
Residue number A
201
Residue number B
303
Peptide name
Tubulin beta chain

Ligandability

Cysteine 201 of Tubulin beta 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 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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