ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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XK-related protein

Intramolecular
Cysteine 172 and cysteine 173
Cysteine 57 and cysteine 254
Cysteine 285 and cysteine 289
Cysteine 50 and cysteine 57
A redox-regulated disulphide may form within XK-related protein between cysteines 172 and 173. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
7p14
Structure name
structure of full-length rxkr9 in complex with a sybody at 3
Structure deposition date
2021-07-01
Thiol separation (Å)
6
Half-sphere exposure sum ?
64
Minimum pKa ?
10
% buried
58
Peptide accession
Q5GH54
Residue number A
172
Residue number B
173
Peptide name
XK-related protein

Ligandability

Cysteine 172 of XK-related protein

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 173 of XK-related protein

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 XK-related protein between cysteines 57 and 254. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
7p16
Structure name
structure of caspase-3 cleaved rxkr9 in complex with a sybody at 4
Structure deposition date
2021-07-01
Thiol separation (Å)
9
Half-sphere exposure sum ?
53
Minimum pKa ?
10
% buried
34
Peptide accession
Q5GH54
Residue number A
57
Residue number B
254
Peptide name
XK-related protein

Ligandability

Cysteine 57 of XK-related protein

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 254 of XK-related protein

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 XK-related protein between cysteines 285 and 289. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
7p16
Structure name
structure of caspase-3 cleaved rxkr9 in complex with a sybody at 4
Structure deposition date
2021-07-01
Thiol separation (Å)
10
Half-sphere exposure sum ?
27
Minimum pKa ?
9
% buried
0
Peptide accession
Q5GH54
Residue number A
285
Residue number B
289
Peptide name
XK-related protein

Ligandability

Cysteine 285 of XK-related protein

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 289 of XK-related protein

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 XK-related protein between cysteines 50 and 57. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
7p14
Structure name
structure of full-length rxkr9 in complex with a sybody at 3
Structure deposition date
2021-07-01
Thiol separation (Å)
9
Half-sphere exposure sum ?
55
Minimum pKa ?
10
% buried
36
Peptide accession
Q5GH54
Residue number A
50
Residue number B
57
Peptide name
XK-related protein

Ligandability

Cysteine 50 of XK-related protein

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 57 of XK-related protein

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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