ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Bile acid receptor

Intermolecular
Cysteine 446 and cysteine 446
Intramolecular
Cysteine 433 and cysteine 446
A redox-regulated disulphide may form between two units of Bile acid receptor at cysteines 446 and 446 (445 and 445 respectively in this structure).

Details

Redox score ?
71
PDB code
5wzx
Structure name
structural basis for a pentacyclic oleanane-type triterpenoid as a ligand of fxr
Structure deposition date
2017-01-19
Thiol separation (Å)
5
Half-sphere exposure sum ?
73
Minimum pKa ?
7
% buried
75
Peptide A name
Bile acid receptor
Peptide B name
Bile acid receptor
Peptide A accession
Q96RI1
Peptide B accession
Q96RI1
Peptide A residue number
446
Peptide B residue number
446

Ligandability

A redox-regulated disulphide may form within Bile acid receptor between cysteines 433 and 446 (419 and 432 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
3ruu
Structure name
fxr with src1 and gsk237
Structure deposition date
2011-05-05
Thiol separation (Å)
9
Half-sphere exposure sum ?
54
Minimum pKa ?
9
% buried
20
Peptide accession
Q96RI1
Residue number A
433
Residue number B
446
Peptide name
Bile acid receptor

Ligandability

Cysteine 433 of Bile acid receptor

Cysteine 446 of Bile acid receptor

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