ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Integrin alpha-6

Intramolecular
Cysteine 528 and cysteine 535
Cysteine 86 and cysteine 94 L
Cysteine 175 and cysteine 188
Cysteine 541 and cysteine 601
Cysteine 131 and cysteine 154
Cysteine 154 and cysteine 175
Cysteine 154 and cysteine 188
A redox-regulated disulphide may form within Integrin alpha-6 between cysteines 528 and 535 (466 and 473 respectively in this structure).

Details

Redox score ?
85
PDB code
7ceb
Structure name
crystal structure of alpha6beta1 integrin headpiece
Structure deposition date
2020-06-22
Thiol separation (Å)
2
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide accession
P23229
Residue number A
528
Residue number B
535
Peptide name
Integrin alpha-6

Ligandability

Cysteine 528 of Integrin alpha-6

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 535 of Integrin alpha-6

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 Integrin alpha-6 between cysteines 86 and 94 (63 and 71 respectively in this structure).

Details

Redox score ?
85
PDB code
7ceb
Structure name
crystal structure of alpha6beta1 integrin headpiece
Structure deposition date
2020-06-22
Thiol separation (Å)
2
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
P23229
Residue number A
86
Residue number B
94
Peptide name
Integrin alpha-6

Ligandability

Cysteine 86 of Integrin alpha-6

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 94 of Integrin alpha-6

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 Integrin alpha-6 between cysteines 175 and 188 (152 and 165 respectively in this structure).

Details

Redox score ?
82
PDB code
7ceb
Structure name
crystal structure of alpha6beta1 integrin headpiece
Structure deposition date
2020-06-22
Thiol separation (Å)
2
Half-sphere exposure sum ?
92
Minimum pKa ?
nan
% buried
nan
Peptide accession
P23229
Residue number A
175
Residue number B
188
Peptide name
Integrin alpha-6

Ligandability

Cysteine 175 of Integrin alpha-6

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 188 of Integrin alpha-6

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 Integrin alpha-6 between cysteines 541 and 601 (479 and 539 respectively in this structure).

Details

Redox score ?
80
PDB code
7ceb
Structure name
crystal structure of alpha6beta1 integrin headpiece
Structure deposition date
2020-06-22
Thiol separation (Å)
2
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
P23229
Residue number A
541
Residue number B
601
Peptide name
Integrin alpha-6

Ligandability

Cysteine 541 of Integrin alpha-6

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 601 of Integrin alpha-6

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 Integrin alpha-6 between cysteines 131 and 154 (108 and 131 respectively in this structure).

Details

Redox score ?
79
PDB code
7ceb
Structure name
crystal structure of alpha6beta1 integrin headpiece
Structure deposition date
2020-06-22
Thiol separation (Å)
2
Half-sphere exposure sum ?
92
Minimum pKa ?
nan
% buried
nan
Peptide accession
P23229
Residue number A
131
Residue number B
154
Peptide name
Integrin alpha-6

Ligandability

Cysteine 131 of Integrin alpha-6

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 154 of Integrin alpha-6

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 Integrin alpha-6 between cysteines 154 and 175 (131 and 152 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
7ceb
Structure name
crystal structure of alpha6beta1 integrin headpiece
Structure deposition date
2020-06-22
Thiol separation (Å)
10
Half-sphere exposure sum ?
86
Minimum pKa ?
nan
% buried
nan
Peptide accession
P23229
Residue number A
154
Residue number B
175
Peptide name
Integrin alpha-6

Ligandability

Cysteine 154 of Integrin alpha-6

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 175 of Integrin alpha-6

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 Integrin alpha-6 between cysteines 154 and 188 (131 and 165 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
7ceb
Structure name
crystal structure of alpha6beta1 integrin headpiece
Structure deposition date
2020-06-22
Thiol separation (Å)
10
Half-sphere exposure sum ?
96
Minimum pKa ?
nan
% buried
nan
Peptide accession
P23229
Residue number A
154
Residue number B
188
Peptide name
Integrin alpha-6

Ligandability

Cysteine 154 of Integrin alpha-6

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 188 of Integrin alpha-6

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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