ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Integrin alpha-L

Intramolecular
Cysteine 73 and cysteine 80
Cysteine 119 and cysteine 1052
Cysteine 119 and cysteine 150
Cysteine 717 and cysteine 717
Cysteine 111 and cysteine 129 L
A redox-regulated disulphide may form within Integrin alpha-L between cysteines 73 and 80 (48 and 55 respectively in this structure).

Details

Redox score ?
86
PDB code
5e6r
Structure name
structures of leukocyte integrin alb2: the ai domain, the headpiece, and the pocket for the internal ligand
Structure deposition date
2015-10-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20701
Residue number A
73
Residue number B
80
Peptide name
Integrin alpha-L

Ligandability

Cysteine 73 of Integrin alpha-L

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 80 of Integrin alpha-L

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-L between cysteines 119 and 1052 (161 and 299 respectively in this structure).

Details

Redox score ?
86
PDB code
3hi6
Structure name
crystal structure of intermediate affinity i domain of integrin lfa-1 with the fab fragment of its antibody al-57
Structure deposition date
2009-05-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20701
Residue number A
119
Residue number B
1052
Peptide name
Integrin alpha-L

Ligandability

Cysteine 119 of Integrin alpha-L

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 1052 of Integrin alpha-L

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-L between cysteines 119 and 150 (94 and 125 respectively in this structure).

Details

Redox score ?
85
PDB code
5e6s
Structure name
structures of leukocyte integrin alb2: the ai domain, the headpiece, and the pocket for the internal ligand
Structure deposition date
2015-10-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20701
Residue number A
119
Residue number B
150
Peptide name
Integrin alpha-L

Ligandability

Cysteine 119 of Integrin alpha-L

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 150 of Integrin alpha-L

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-L between cysteines 717 and 717 (287 and 294 respectively in this structure).

Details

Redox score ?
80
PDB code
1mq9
Structure name
crystal structure of high affinity alphal i domain with ligand mimetic crystal contact
Structure deposition date
2002-09-15
Thiol separation (Å)
2
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20701
Residue number A
717
Residue number B
717
Peptide name
Integrin alpha-L

Ligandability

Cysteine 717 of Integrin alpha-L

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 717 of Integrin alpha-L

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-L between cysteines 111 and 129 (86 and 104 respectively in this structure).

Details

Redox score ?
78
PDB code
5e6u
Structure name
structures of leukocyte integrin alb2: the ai domain, the headpiece, and the pocket for the internal ligand
Structure deposition date
2015-10-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
102
Minimum pKa ?
nan
% buried
nan
Peptide accession
P20701
Residue number A
111
Residue number B
129
Peptide name
Integrin alpha-L

Ligandability

Cysteine 111 of Integrin alpha-L

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.

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 Integrin alpha-L

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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