ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

D(4) dopamine receptor

Intramolecular
Cysteine 372 and cysteine 375
Cysteine 108 and cysteine 185
Cysteine 127 and cysteine 205
Cysteine 119 and cysteine 205
A redox-regulated disulphide may form within D(4) dopamine receptor between cysteines 372 and 375 (420 and 423 respectively in this structure).

Details

Redox score ?
87
PDB code
5wiv
Structure name
structure of the sodium-bound human d4 dopamine receptor in complex with nemonapride
Structure deposition date
2017-07-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
31
Minimum pKa ?
nan
% buried
nan
Peptide accession
P21917
Residue number A
372
Residue number B
375
Peptide name
D(4) dopamine receptor

Ligandability

Cysteine 372 of D(4) dopamine receptor

Cysteine 375 of D(4) dopamine receptor

A redox-regulated disulphide may form within D(4) dopamine receptor between cysteines 108 and 185.

Details

Redox score ?
84
PDB code
5wiv
Structure name
structure of the sodium-bound human d4 dopamine receptor in complex with nemonapride
Structure deposition date
2017-07-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
P21917
Residue number A
108
Residue number B
185
Peptide name
D(4) dopamine receptor

Ligandability

Cysteine 108 of D(4) dopamine receptor

Cysteine 185 of D(4) dopamine receptor

A redox-regulated disulphide may form within D(4) dopamine receptor between cysteines 127 and 205. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
5wiu
Structure name
structure of the human d4 dopamine receptor in complex with nemonapride
Structure deposition date
2017-07-20
Thiol separation (Å)
7
Half-sphere exposure sum ?
72
Minimum pKa ?
12
% buried
81
Peptide accession
P21917
Residue number A
127
Residue number B
205
Peptide name
D(4) dopamine receptor

Ligandability

Cysteine 127 of D(4) dopamine receptor

Cysteine 205 of D(4) dopamine receptor

A redox-regulated disulphide may form within D(4) dopamine receptor between cysteines 119 and 205. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
28
PDB code
5wiu
Structure name
structure of the human d4 dopamine receptor in complex with nemonapride
Structure deposition date
2017-07-20
Thiol separation (Å)
10
Half-sphere exposure sum ?
75
Minimum pKa ?
12
% buried
88
Peptide accession
P21917
Residue number A
119
Residue number B
205
Peptide name
D(4) dopamine receptor

Ligandability

Cysteine 119 of D(4) dopamine receptor

Cysteine 205 of D(4) dopamine receptor

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