ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

ATP-binding cassette sub-family G member 8

Intermolecular
Cysteine 425 and cysteine 425
Cysteine 291 of ATP-binding cassette sub-family G member 5 and cysteine 311
Cysteine 225 of ATP-binding cassette sub-family G member 5 and cysteine 109
Intramolecular
Cysteine 541 and cysteine 542
A redox-regulated disulphide may form between two units of ATP-binding cassette sub-family G member 8 at cysteines 425 and 425.

Details

Redox score ?
77
PDB code
8cub
Structure name
crystal structure of abcg5/g8 in complex with cholesterol
Structure deposition date
2022-05-17
Thiol separation (Å)
4
Half-sphere exposure sum ?
59
Minimum pKa ?
7
% buried
78
Peptide A name
ATP-binding cassette sub-family G member 8
Peptide B name
ATP-binding cassette sub-family G member 8
Peptide A accession
Q9H221
Peptide B accession
Q9H221
Peptide A residue number
425
Peptide B residue number
425

Ligandability

A redox-regulated disulphide may form between cysteine 291 of ATP-binding cassette sub-family G member 5 and cysteine 311 of ATP-binding cassette sub-family G member 8. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
57
PDB code
5do7
Structure name
crystal structure of the human sterol transporter abcg5/abcg8
Structure deposition date
2015-09-10
Thiol separation (Å)
7
Half-sphere exposure sum ?
50
Minimum pKa ?
10
% buried
40
Peptide A name
ATP-binding cassette sub-family G member 5
Peptide B name
ATP-binding cassette sub-family G member 8
Peptide A accession
Q9H222
Peptide B accession
Q9H221
Peptide A residue number
291
Peptide B residue number
311

Ligandability

Cysteine 291 of ATP-binding cassette sub-family G member 5

Cysteine 311 of ATP-binding cassette sub-family G member 8

A redox-regulated disulphide may form between cysteine 225 of ATP-binding cassette sub-family G member 5 and cysteine 109 of ATP-binding cassette sub-family G member 8. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
5do7
Structure name
crystal structure of the human sterol transporter abcg5/abcg8
Structure deposition date
2015-09-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
64
Minimum pKa ?
8
% buried
60
Peptide A name
ATP-binding cassette sub-family G member 5
Peptide B name
ATP-binding cassette sub-family G member 8
Peptide A accession
Q9H222
Peptide B accession
Q9H221
Peptide A residue number
225
Peptide B residue number
109

Ligandability

Cysteine 225 of ATP-binding cassette sub-family G member 5

Cysteine 109 of ATP-binding cassette sub-family G member 8

A redox-regulated disulphide may form within ATP-binding cassette sub-family G member 8 between cysteines 541 and 542. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
5do7
Structure name
crystal structure of the human sterol transporter abcg5/abcg8
Structure deposition date
2015-09-10
Thiol separation (Å)
7
Half-sphere exposure sum ?
87
Minimum pKa ?
12
% buried
100
Peptide accession
Q9H221
Residue number A
541
Residue number B
542
Peptide name
ATP-binding cassette sub-family G member 8

Ligandability

Cysteine 541 of ATP-binding cassette sub-family G member 8

Cysteine 542 of ATP-binding cassette sub-family G member 8

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