ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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CDw150

Intermolecular
Cysteine 188 of Hemagglutinin glycoprotein and cysteine 32
Intramolecular
Cysteine 32 and cysteine 132
Cysteine 158 and cysteine 228
Cysteine 188 and cysteine 132
Cysteine 304 and cysteine 579
Cysteine 32 and cysteine 494
Cysteine 386 and cysteine 394
Cysteine 188 and cysteine 606
Cysteine 188 and cysteine 209
A redox-regulated disulphide may form between cysteine 188 of Hemagglutinin glycoprotein and cysteine 32 of CDw150. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
3alz
Structure name
crystal structure of the measles virus hemagglutinin bound to its cellular receptor slam (form i)
Structure deposition date
2010-08-11
Thiol separation (Å)
10
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide A name
Hemagglutinin glycoprotein
Peptide B name
CDw150
Peptide A accession
E2RZS2
Peptide B accession
Q9GJT3
Peptide A residue number
188
Peptide B residue number
32

Ligandability

Cysteine 188 of Hemagglutinin glycoprotein

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 32 of CDw150

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 CDw150 between cysteines 32 and 132.

Details

Redox score ?
85
PDB code
3alx
Structure name
crystal structure of the measles virus hemagglutinin bound to its cellular receptor slam (mv-h(l482r)-slam(n102h/r108y) fusion)
Structure deposition date
2010-08-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9GJT3
Residue number A
32
Residue number B
132
Peptide name
CDw150

Ligandability

Cysteine 32 of CDw150

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 132 of CDw150

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 CDw150 between cysteines 158 and 228 (287 and 300 respectively in this structure).

Details

Redox score ?
80
PDB code
3alx
Structure name
crystal structure of the measles virus hemagglutinin bound to its cellular receptor slam (mv-h(l482r)-slam(n102h/r108y) fusion)
Structure deposition date
2010-08-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9GJT3
Residue number A
158
Residue number B
228
Peptide name
CDw150

Ligandability

Cysteine 158 of CDw150

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 228 of CDw150

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 CDw150 between cysteines 188 and 132. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
3alx
Structure name
crystal structure of the measles virus hemagglutinin bound to its cellular receptor slam (mv-h(l482r)-slam(n102h/r108y) fusion)
Structure deposition date
2010-08-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9GJT3
Residue number A
188
Residue number B
132
Peptide name
CDw150

Ligandability

Cysteine 188 of CDw150

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 132 of CDw150

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 in protein A could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within CDw150 between cysteines 304 and 579 (570 and 579 respectively in this structure).

Details

Redox score ?
nan
PDB code
3alx
Structure name
crystal structure of the measles virus hemagglutinin bound to its cellular receptor slam (mv-h(l482r)-slam(n102h/r108y) fusion)
Structure deposition date
2010-08-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
87
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9GJT3
Residue number A
304
Residue number B
579
Peptide name
CDw150

Ligandability

Cysteine 304 of CDw150

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 579 of CDw150

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 570 has been assigned to correct residue.
Cysteine 579 in protein B could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within CDw150 between cysteines 32 and 494 (381 and 494 respectively in this structure).

Details

Redox score ?
nan
PDB code
3alx
Structure name
crystal structure of the measles virus hemagglutinin bound to its cellular receptor slam (mv-h(l482r)-slam(n102h/r108y) fusion)
Structure deposition date
2010-08-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9GJT3
Residue number A
32
Residue number B
494
Peptide name
CDw150

Ligandability

Cysteine 32 of CDw150

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 494 of CDw150

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 381 has been assigned to correct residue.
Cysteine 494 in protein B could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within CDw150 between cysteines 386 and 394.

Details

Redox score ?
nan
PDB code
3alx
Structure name
crystal structure of the measles virus hemagglutinin bound to its cellular receptor slam (mv-h(l482r)-slam(n102h/r108y) fusion)
Structure deposition date
2010-08-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9GJT3
Residue number A
386
Residue number B
394
Peptide name
CDw150

Ligandability

Cysteine 386 of CDw150

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 394 of CDw150

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 386 in protein A could not be asigned to a Uniprot residue.
Cysteine 394 in protein B could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within CDw150 between cysteines 188 and 606.

Details

Redox score ?
nan
PDB code
3alw
Structure name
crystal structure of the measles virus hemagglutinin bound to its cellular receptor slam (form i, mv-h-slam(n102h/r108y) fusion)
Structure deposition date
2010-08-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9GJT3
Residue number A
188
Residue number B
606
Peptide name
CDw150

Ligandability

Cysteine 188 of CDw150

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 606 of CDw150

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 in protein A could not be asigned to a Uniprot residue.
Cysteine 606 in protein B could not be asigned to a Uniprot residue.
A redox-regulated disulphide may form within CDw150 between cysteines 188 and 209 (188 and 606 respectively in this structure).

Details

Redox score ?
nan
PDB code
3alx
Structure name
crystal structure of the measles virus hemagglutinin bound to its cellular receptor slam (mv-h(l482r)-slam(n102h/r108y) fusion)
Structure deposition date
2010-08-09
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9GJT3
Residue number A
188
Residue number B
209
Peptide name
CDw150

Ligandability

Cysteine 188 of CDw150

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 209 of CDw150

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 in protein A could not be asigned to a Uniprot residue.
Uncertain whether structure cysteine 606 has been assigned to correct residue.
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