ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Integrin alpha-IIb

Intermolecular
Cysteine 24 and cysteine 488 of Integrin beta-3
Cysteine 959 and cysteine 689 of Integrin beta-3
Intramolecular
Cysteine 857 and cysteine 921
Cysteine 87 and cysteine 96
Cysteine 705 and cysteine 718
Cysteine 633 and cysteine 639
Cysteine 911 and cysteine 916
Cysteine 521 and cysteine 576
Cysteine 177 and cysteine 198
Cysteine 504 and cysteine 515
More...
Cysteine 138 and cysteine 161
Cysteine 161 and cysteine 177
Cysteine 161 and cysteine 198
A redox-regulated disulphide may form between cysteine 24 of Integrin alpha-IIb and cysteine 488 of Integrin beta-3 (962 and 689 respectively in this structure).

Details

Redox score ?
89
PDB code
7kn0
Structure name
structure of the integrin aiib(w968v)b3 transmembrane complex
Structure deposition date
2020-11-03
Thiol separation (Å)
2
Half-sphere exposure sum ?
42
Minimum pKa ?
nan
% buried
nan
Peptide A name
Integrin alpha-IIb
Peptide B name
Integrin beta-3
Peptide A accession
P08514
Peptide B accession
P05106
Peptide A residue number
24
Peptide B residue number
488

Ligandability

Cysteine 24 of Integrin alpha-IIb

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 488 of Integrin beta-3

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 between cysteine 959 of Integrin alpha-IIb and cysteine 689 of Integrin beta-3 (959 and 663 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
3fcs
Structure name
structure of complete ectodomain of integrin aiibb3
Structure deposition date
2008-11-22
Thiol separation (Å)
9
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Integrin alpha-IIb
Peptide B name
Integrin beta-3
Peptide A accession
Q17R67
Peptide B accession
P05106
Peptide A residue number
959
Peptide B residue number
689

Ligandability

Cysteine 959 of Integrin alpha-IIb

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 689 of Integrin beta-3

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 959 in protein A could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within Integrin alpha-IIb between cysteines 857 and 921 (826 and 890 respectively in this structure).

Details

Redox score ?
87
PDB code
3fcs
Structure name
structure of complete ectodomain of integrin aiibb3
Structure deposition date
2008-11-22
Thiol separation (Å)
2
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q17R67
Residue number A
857
Residue number B
921
Peptide name
Integrin alpha-IIb

Ligandability

Cysteine 857 of Integrin alpha-IIb

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 921 of Integrin alpha-IIb

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-IIb between cysteines 87 and 96 (56 and 65 respectively in this structure).

Details

Redox score ?
87
PDB code
3fcs
Structure name
structure of complete ectodomain of integrin aiibb3
Structure deposition date
2008-11-22
Thiol separation (Å)
2
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q17R67
Residue number A
87
Residue number B
96
Peptide name
Integrin alpha-IIb

Ligandability

Cysteine 87 of Integrin alpha-IIb

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 96 of Integrin alpha-IIb

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-IIb between cysteines 705 and 718 (674 and 687 respectively in this structure).

Details

Redox score ?
85
PDB code
3fcs
Structure name
structure of complete ectodomain of integrin aiibb3
Structure deposition date
2008-11-22
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q17R67
Residue number A
705
Residue number B
718
Peptide name
Integrin alpha-IIb

Ligandability

Cysteine 705 of Integrin alpha-IIb

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 718 of Integrin alpha-IIb

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-IIb between cysteines 633 and 639 (602 and 608 respectively in this structure).

Details

Redox score ?
85
PDB code
4cak
Structure name
three-dimensional reconstruction of intact human integrin alphaiibbeta3 in a phospholipid bilayer nanodisc
Structure deposition date
2013-10-08
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
P08514
Residue number A
633
Residue number B
639
Peptide name
Integrin alpha-IIb

Ligandability

Cysteine 633 of Integrin alpha-IIb

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 639 of Integrin alpha-IIb

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-IIb between cysteines 911 and 916 (880 and 885 respectively in this structure).

Details

Redox score ?
81
PDB code
4cak
Structure name
three-dimensional reconstruction of intact human integrin alphaiibbeta3 in a phospholipid bilayer nanodisc
Structure deposition date
2013-10-08
Thiol separation (Å)
2
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
P08514
Residue number A
911
Residue number B
916
Peptide name
Integrin alpha-IIb

Ligandability

Cysteine 911 of Integrin alpha-IIb

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 916 of Integrin alpha-IIb

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-IIb between cysteines 521 and 576 (490 and 545 respectively in this structure).

Details

Redox score ?
80
PDB code
4cak
Structure name
three-dimensional reconstruction of intact human integrin alphaiibbeta3 in a phospholipid bilayer nanodisc
Structure deposition date
2013-10-08
Thiol separation (Å)
2
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
P08514
Residue number A
521
Residue number B
576
Peptide name
Integrin alpha-IIb

Ligandability

Cysteine 521 of Integrin alpha-IIb

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 576 of Integrin alpha-IIb

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-IIb between cysteines 177 and 198 (146 and 167 respectively in this structure).

Details

Redox score ?
80
PDB code
3fcu
Structure name
structure of headpiece of integrin aiibb3 in open conformation
Structure deposition date
2008-11-22
Thiol separation (Å)
2
Half-sphere exposure sum ?
97
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q17R67
Residue number A
177
Residue number B
198
Peptide name
Integrin alpha-IIb

Ligandability

Cysteine 177 of Integrin alpha-IIb

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 198 of Integrin alpha-IIb

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-IIb between cysteines 504 and 515 (473 and 484 respectively in this structure).

Details

Redox score ?
79
PDB code
4cak
Structure name
three-dimensional reconstruction of intact human integrin alphaiibbeta3 in a phospholipid bilayer nanodisc
Structure deposition date
2013-10-08
Thiol separation (Å)
2
Half-sphere exposure sum ?
72
Minimum pKa ?
nan
% buried
nan
Peptide accession
P08514
Residue number A
504
Residue number B
515
Peptide name
Integrin alpha-IIb

Ligandability

Cysteine 504 of Integrin alpha-IIb

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 515 of Integrin alpha-IIb

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-IIb between cysteines 138 and 161 (107 and 130 respectively in this structure).

Details

Redox score ?
77
PDB code
7ufh
Structure name
integrin alaphiibbeta3 complex with fradafiban (mn/ca)
Structure deposition date
2022-03-22
Thiol separation (Å)
2
Half-sphere exposure sum ?
98
Minimum pKa ?
nan
% buried
nan
Peptide accession
P08514
Residue number A
138
Residue number B
161
Peptide name
Integrin alpha-IIb

Ligandability

Cysteine 138 of Integrin alpha-IIb

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 161 of Integrin alpha-IIb

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-IIb between cysteines 161 and 177 (130 and 146 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
7u9f
Structure name
integrin alaphiibbeta3 complex with bms compound 4 in mn2+
Structure deposition date
2022-03-10
Thiol separation (Å)
10
Half-sphere exposure sum ?
97
Minimum pKa ?
nan
% buried
nan
Peptide accession
P08514
Residue number A
161
Residue number B
177
Peptide name
Integrin alpha-IIb

Ligandability

Cysteine 161 of Integrin alpha-IIb

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 177 of Integrin alpha-IIb

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-IIb between cysteines 161 and 198 (130 and 167 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
4cak
Structure name
three-dimensional reconstruction of intact human integrin alphaiibbeta3 in a phospholipid bilayer nanodisc
Structure deposition date
2013-10-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
122
Minimum pKa ?
nan
% buried
nan
Peptide accession
P08514
Residue number A
161
Residue number B
198
Peptide name
Integrin alpha-IIb

Ligandability

Cysteine 161 of Integrin alpha-IIb

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 198 of Integrin alpha-IIb

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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