ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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ATP-binding cassette sub-family G member 1

Intramolecular
Cysteine 623 and cysteine 629
Cysteine 401 and cysteine 406
A redox-regulated disulphide may form within ATP-binding cassette sub-family G member 1 between cysteines 623 and 629 (611 and 617 respectively in this structure).

Details

Redox score ?
89
PDB code
7r8e
Structure name
the structure of human abcg1 e242q complexed with atp
Structure deposition date
2021-06-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
44
Minimum pKa ?
nan
% buried
nan
Peptide accession
P45844
Residue number A
623
Residue number B
629
Peptide name
ATP-binding cassette sub-family G member 1

Ligandability

Cysteine 623 of ATP-binding cassette sub-family G member 1

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 629 of ATP-binding cassette sub-family G member 1

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 ATP-binding cassette sub-family G member 1 between cysteines 401 and 406 (389 and 394 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
7r8d
Structure name
the structure of human abcg1 e242q with cholesterol
Structure deposition date
2021-06-26
Thiol separation (Å)
9
Half-sphere exposure sum ?
48
Minimum pKa ?
9
% buried
0
Peptide accession
P45844
Residue number A
401
Residue number B
406
Peptide name
ATP-binding cassette sub-family G member 1

Ligandability

Cysteine 401 of ATP-binding cassette sub-family G member 1

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 406 of ATP-binding cassette sub-family G member 1

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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