ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Histamine H1 receptor

Intramolecular
Cysteine 441 and cysteine 444
Cysteine 100 and cysteine 180
Cysteine 444 and cysteine 445
Cysteine 441 and cysteine 445
A redox-regulated disulphide may form within Histamine H1 receptor between cysteines 441 and 444.

Details

Redox score ?
88
PDB code
3rze
Structure name
structure of the human histamine h1 receptor in complex with doxepin
Structure deposition date
2011-05-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
26
Minimum pKa ?
nan
% buried
nan
Peptide accession
P35367
Residue number A
441
Residue number B
444
Peptide name
Histamine H1 receptor

Ligandability

Cysteine 441 of Histamine H1 receptor

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 444 of Histamine H1 receptor

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 Histamine H1 receptor between cysteines 100 and 180.

Details

Redox score ?
86
PDB code
3rze
Structure name
structure of the human histamine h1 receptor in complex with doxepin
Structure deposition date
2011-05-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide accession
P35367
Residue number A
100
Residue number B
180
Peptide name
Histamine H1 receptor

Ligandability

Cysteine 100 of Histamine H1 receptor

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 180 of Histamine H1 receptor

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 Histamine H1 receptor between cysteines 444 and 445. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
57
PDB code
3rze
Structure name
structure of the human histamine h1 receptor in complex with doxepin
Structure deposition date
2011-05-11
Thiol separation (Å)
8
Half-sphere exposure sum ?
29
Minimum pKa ?
9
% buried
nan
Peptide accession
P35367
Residue number A
444
Residue number B
445
Peptide name
Histamine H1 receptor

Ligandability

Cysteine 444 of Histamine H1 receptor

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 445 of Histamine H1 receptor

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 Histamine H1 receptor between cysteines 441 and 445. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
3rze
Structure name
structure of the human histamine h1 receptor in complex with doxepin
Structure deposition date
2011-05-11
Thiol separation (Å)
9
Half-sphere exposure sum ?
25
Minimum pKa ?
9
% buried
nan
Peptide accession
P35367
Residue number A
441
Residue number B
445
Peptide name
Histamine H1 receptor

Ligandability

Cysteine 441 of Histamine H1 receptor

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 445 of Histamine H1 receptor

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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