Broad substrate specificity ATP-binding cassette transporter ABCG2
Intermolecular
Cysteine 603 and cysteine 603
Cysteine 544 and cysteine 544
Cysteine 438 and cysteine 544
Cysteine 592 and cysteine 603
Cysteine 438 and cysteine 438
Intramolecular
Cysteine 592 and cysteine 608
Cysteine 603 and cysteine 608
6hij A 603 B 603
A redox-regulated disulphide may form between two units of Broad substrate specificity ATP-binding cassette transporter ABCG2 at cysteines 603 and 603.
Details
Redox score ?
85
PDB code
6hij
Structure name
cryo-em structure of the human abcg2-mz29-fab complex with cholesterol and pe lipids docked
Structure deposition date
2018-08-30
Thiol separation (Å)
2
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide A name
Broad substrate specificity ATP-binding cassette transporter ABCG2
Peptide B name
Broad substrate specificity ATP-binding cassette transporter ABCG2
Peptide A accession
Q9UNQ0
Peptide B accession
Q9UNQ0
Peptide A residue number
603
Peptide B residue number
603
Ligandability
6vxf B 544 A 544
A redox-regulated disulphide may form between two units of Broad substrate specificity ATP-binding cassette transporter ABCG2 at cysteines 544 and 544.
Details
Redox score ?
73
PDB code
6vxf
Structure name
structure of apo-closed abcg2
Structure deposition date
2020-02-21
Thiol separation (Å)
4
Half-sphere exposure sum ?
80
Minimum pKa ?
5
% buried
100
Peptide A name
Broad substrate specificity ATP-binding cassette transporter ABCG2
Peptide B name
Broad substrate specificity ATP-binding cassette transporter ABCG2
Peptide A accession
Q9UNQ0
Peptide B accession
Q9UNQ0
Peptide A residue number
544
Peptide B residue number
544
Ligandability
6vxf B 438 A 544
A redox-regulated disulphide may form between two units of Broad substrate specificity ATP-binding cassette transporter ABCG2 at cysteines 438 and 544. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
57
PDB code
6vxf
Structure name
structure of apo-closed abcg2
Structure deposition date
2020-02-21
Thiol separation (Å)
7
Half-sphere exposure sum ?
90
Minimum pKa ?
5
% buried
100
Peptide A name
Broad substrate specificity ATP-binding cassette transporter ABCG2
Peptide B name
Broad substrate specificity ATP-binding cassette transporter ABCG2
Peptide A accession
Q9UNQ0
Peptide B accession
Q9UNQ0
Peptide A residue number
438
Peptide B residue number
544
Ligandability
Cysteine 438 of Broad substrate specificity ATP-binding cassette transporter ABCG2
Cysteine 544 of Broad substrate specificity ATP-binding cassette transporter ABCG2
5nj3 A 592 B 603
A redox-regulated disulphide may form between two units of Broad substrate specificity ATP-binding cassette transporter ABCG2 at cysteines 592 and 603. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
40
PDB code
5nj3
Structure name
structure of an abc transporter: complete structure
Structure deposition date
2017-03-28
Thiol separation (Å)
9
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide A name
Broad substrate specificity ATP-binding cassette transporter ABCG2
Peptide B name
Broad substrate specificity ATP-binding cassette transporter ABCG2
Peptide A accession
Q9UNQ0
Peptide B accession
Q9UNQ0
Peptide A residue number
592
Peptide B residue number
603
Ligandability
Cysteine 592 of Broad substrate specificity ATP-binding cassette transporter ABCG2
Cysteine 603 of Broad substrate specificity ATP-binding cassette transporter ABCG2
6vxf B 438 A 438
A redox-regulated disulphide may form between two units of Broad substrate specificity ATP-binding cassette transporter ABCG2 at cysteines 438 and 438. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
27
PDB code
6vxf
Structure name
structure of apo-closed abcg2
Structure deposition date
2020-02-21
Thiol separation (Å)
10
Half-sphere exposure sum ?
100
Minimum pKa ?
9
% buried
100
Peptide A name
Broad substrate specificity ATP-binding cassette transporter ABCG2
Peptide B name
Broad substrate specificity ATP-binding cassette transporter ABCG2
Peptide A accession
Q9UNQ0
Peptide B accession
Q9UNQ0
Peptide A residue number
438
Peptide B residue number
438
Ligandability
7nfd A 592 A 608
A redox-regulated disulphide may form within Broad substrate specificity ATP-binding cassette transporter ABCG2 between cysteines 592 and 608.
Details
Redox score ?
81
PDB code
7nfd
Structure name
structure of mitoxantrone-bound abcg2
Structure deposition date
2021-02-06
Thiol separation (Å)
2
Half-sphere exposure sum ?
83
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9UNQ0
Residue number A
592
Residue number B
608
Peptide name
Broad substrate specificity ATP-binding cassette transporter ABCG2
Ligandability
Cysteine 592 of Broad substrate specificity ATP-binding cassette transporter ABCG2
Cysteine 608 of Broad substrate specificity ATP-binding cassette transporter ABCG2
7ojh A 603 A 608
A redox-regulated disulphide may form within Broad substrate specificity ATP-binding cassette transporter ABCG2 between cysteines 603 and 608. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
45
PDB code
7ojh
Structure name
abcg2 topotecan turnover-1 state
Structure deposition date
2021-05-15
Thiol separation (Å)
9
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9UNQ0
Residue number A
603
Residue number B
608
Peptide name
Broad substrate specificity ATP-binding cassette transporter ABCG2
Ligandability
Cysteine 603 of Broad substrate specificity ATP-binding cassette transporter ABCG2
Cysteine 608 of Broad substrate specificity ATP-binding cassette transporter ABCG2
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