ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Copper transport protein ATOX1

Intermolecular
Cysteine 12 and cysteine 15 L
Cysteine 15 and cysteine 15 L
Cysteine 12 and cysteine 19 of Copper-transporting ATPase 1 L
Cysteine 12 and cysteine 22 of Copper-transporting ATPase 1 L
Cysteine 12 and cysteine 12 L
Cysteine 15 and cysteine 22 of Copper-transporting ATPase 1 L
Cysteine 15 and cysteine 19 of Copper-transporting ATPase 1 L
A redox-regulated disulphide may form between two units of Copper transport protein ATOX1 at cysteines 12 and 15.

Details

Redox score ?
86
PDB code
1fe0
Structure name
crystal structure of cadmium-hah1
Structure deposition date
2000-07-20
Thiol separation (Å)
4
Half-sphere exposure sum ?
65
Minimum pKa ?
2
% buried
36
Peptide A name
Copper transport protein ATOX1
Peptide B name
Copper transport protein ATOX1
Peptide A accession
O00244
Peptide B accession
O00244
Peptide A residue number
12
Peptide B residue number
15

Ligandability

Cysteine 12 of Copper transport protein ATOX1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 15 of Copper transport protein ATOX1

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form between two units of Copper transport protein ATOX1 at cysteines 15 and 15.

Details

Redox score ?
85
PDB code
1fe0
Structure name
crystal structure of cadmium-hah1
Structure deposition date
2000-07-20
Thiol separation (Å)
4
Half-sphere exposure sum ?
82
Minimum pKa ?
2
% buried
50
Peptide A name
Copper transport protein ATOX1
Peptide B name
Copper transport protein ATOX1
Peptide A accession
O00244
Peptide B accession
O00244
Peptide A residue number
15
Peptide B residue number
15

Ligandability

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form between cysteine 12 of Copper transport protein ATOX1 and cysteine 19 of Copper-transporting ATPase 1 (12 and 15 respectively in this structure).

Details

Redox score ?
80
PDB code
3cjk
Structure name
crystal structure of the adduct hah1-cd(ii)-mnk1
Structure deposition date
2008-03-13
Thiol separation (Å)
4
Half-sphere exposure sum ?
48
Minimum pKa ?
5
% buried
12
Peptide A name
Copper transport protein ATOX1
Peptide B name
Copper-transporting ATPase 1
Peptide A accession
O00244
Peptide B accession
Q04656
Peptide A residue number
12
Peptide B residue number
19

Ligandability

Cysteine 12 of Copper transport protein ATOX1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 19 of Copper-transporting ATPase 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 between cysteine 12 of Copper transport protein ATOX1 and cysteine 22 of Copper-transporting ATPase 1 (12 and 18 respectively in this structure).

Details

Redox score ?
76
PDB code
3cjk
Structure name
crystal structure of the adduct hah1-cd(ii)-mnk1
Structure deposition date
2008-03-13
Thiol separation (Å)
4
Half-sphere exposure sum ?
63
Minimum pKa ?
8
% buried
33
Peptide A name
Copper transport protein ATOX1
Peptide B name
Copper-transporting ATPase 1
Peptide A accession
O00244
Peptide B accession
Q04656
Peptide A residue number
12
Peptide B residue number
22

Ligandability

Cysteine 12 of Copper transport protein ATOX1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 22 of Copper-transporting ATPase 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 between two units of Copper transport protein ATOX1 at cysteines 12 and 12.

Details

Redox score ?
69
PDB code
5f0w
Structure name
crystal structure of human copper homeostatic proteins atox1
Structure deposition date
2015-11-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide A name
Copper transport protein ATOX1
Peptide B name
Copper transport protein ATOX1
Peptide A accession
O00244
Peptide B accession
O00244
Peptide A residue number
12
Peptide B residue number
12

Ligandability

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form between cysteine 15 of Copper transport protein ATOX1 and cysteine 22 of Copper-transporting ATPase 1 (15 and 18 respectively in this structure).

Details

Redox score ?
68
PDB code
5t7l
Structure name
pt(ii)-mediated copper-dependent interactions between atox1 and mnk1
Structure deposition date
2016-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
78
Minimum pKa ?
nan
% buried
nan
Peptide A name
Copper transport protein ATOX1
Peptide B name
Copper-transporting ATPase 1
Peptide A accession
O00244
Peptide B accession
Q04656
Peptide A residue number
15
Peptide B residue number
22

Ligandability

Cysteine 15 of Copper transport protein ATOX1

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 22 of Copper-transporting ATPase 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 between cysteine 15 of Copper transport protein ATOX1 and cysteine 19 of Copper-transporting ATPase 1 (15 and 15 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
3cjk
Structure name
crystal structure of the adduct hah1-cd(ii)-mnk1
Structure deposition date
2008-03-13
Thiol separation (Å)
9
Half-sphere exposure sum ?
61
Minimum pKa ?
5
% buried
32
Peptide A name
Copper transport protein ATOX1
Peptide B name
Copper-transporting ATPase 1
Peptide A accession
O00244
Peptide B accession
Q04656
Peptide A residue number
15
Peptide B residue number
19

Ligandability

Cysteine 15 of Copper transport protein ATOX1

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 19 of Copper-transporting ATPase 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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