ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Oxysterol-binding protein-related protein 3

Intramolecular
Cysteine 560 and cysteine 615
Cysteine 716 and cysteine 718
Cysteine 560 and cysteine 638
Cysteine 718 and cysteine 760
A redox-regulated disulphide may form within Oxysterol-binding protein-related protein 3 between cysteines 560 and 615.

Details

Redox score ?
70
PDB code
7dei
Structure name
structure of human orp3 ord domain in complex with pi(4)p
Structure deposition date
2020-11-04
Thiol separation (Å)
4
Half-sphere exposure sum ?
81
Minimum pKa ?
6
% buried
100
Peptide accession
Q9H4L5
Residue number A
560
Residue number B
615
Peptide name
Oxysterol-binding protein-related protein 3

Ligandability

Cysteine 560 of Oxysterol-binding protein-related protein 3

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 615 of Oxysterol-binding protein-related protein 3

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 Oxysterol-binding protein-related protein 3 between cysteines 716 and 718. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
7dei
Structure name
structure of human orp3 ord domain in complex with pi(4)p
Structure deposition date
2020-11-04
Thiol separation (Å)
8
Half-sphere exposure sum ?
74
Minimum pKa ?
11
% buried
77
Peptide accession
Q9H4L5
Residue number A
716
Residue number B
718
Peptide name
Oxysterol-binding protein-related protein 3

Ligandability

Cysteine 716 of Oxysterol-binding protein-related protein 3

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 718 of Oxysterol-binding protein-related protein 3

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 Oxysterol-binding protein-related protein 3 between cysteines 560 and 638. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
7dej
Structure name
structure of human orp3 ord in apo-form
Structure deposition date
2020-11-04
Thiol separation (Å)
8
Half-sphere exposure sum ?
87
Minimum pKa ?
13
% buried
100
Peptide accession
Q9H4L5
Residue number A
560
Residue number B
638
Peptide name
Oxysterol-binding protein-related protein 3

Ligandability

Cysteine 560 of Oxysterol-binding protein-related protein 3

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 638 of Oxysterol-binding protein-related protein 3

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 Oxysterol-binding protein-related protein 3 between cysteines 718 and 760. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
7dei
Structure name
structure of human orp3 ord domain in complex with pi(4)p
Structure deposition date
2020-11-04
Thiol separation (Å)
10
Half-sphere exposure sum ?
79
Minimum pKa ?
11
% buried
82
Peptide accession
Q9H4L5
Residue number A
718
Residue number B
760
Peptide name
Oxysterol-binding protein-related protein 3

Ligandability

Cysteine 718 of Oxysterol-binding protein-related protein 3

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 760 of Oxysterol-binding protein-related protein 3

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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