ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Cytochrome c oxidase subunit 5B, mitochondrial

Intramolecular
Cysteine 93 and cysteine 116
Cysteine 91 and cysteine 93
Cysteine 93 and cysteine 113
Cysteine 91 and cysteine 113
Cysteine 91 and cysteine 116
Cysteine 113 and cysteine 116
A redox-regulated disulphide may form within Cytochrome c oxidase subunit 5B, mitochondrial between cysteines 93 and 116 (62 and 85 respectively in this structure).

Details

Redox score ?
84
PDB code
1oco
Structure name
bovine heart cytochrome c oxidase in carbon monoxide-bound state
Structure deposition date
1998-07-09
Thiol separation (Å)
3
Half-sphere exposure sum ?
50
Minimum pKa ?
5
% buried
66
Peptide accession
P00428
Residue number A
93
Residue number B
116
Peptide name
Cytochrome c oxidase subunit 5B, mitochondrial

Ligandability

Cysteine 93 of Cytochrome c oxidase subunit 5B, mitochondrial

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 116 of Cytochrome c oxidase subunit 5B, mitochondrial

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 Cytochrome c oxidase subunit 5B, mitochondrial between cysteines 91 and 93 (60 and 62 respectively in this structure).

Details

Redox score ?
69
PDB code
2dyr
Structure name
bovine heart cytochrome c oxidase at the fully oxidized state
Structure deposition date
2006-09-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
P00428
Residue number A
91
Residue number B
93
Peptide name
Cytochrome c oxidase subunit 5B, mitochondrial

Ligandability

Cysteine 91 of Cytochrome c oxidase subunit 5B, mitochondrial

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 93 of Cytochrome c oxidase subunit 5B, mitochondrial

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 Cytochrome c oxidase subunit 5B, mitochondrial between cysteines 93 and 113 (62 and 82 respectively in this structure).

Details

Redox score ?
69
PDB code
1oco
Structure name
bovine heart cytochrome c oxidase in carbon monoxide-bound state
Structure deposition date
1998-07-09
Thiol separation (Å)
3
Half-sphere exposure sum ?
62
Minimum pKa ?
14
% buried
nan
Peptide accession
P00428
Residue number A
93
Residue number B
113
Peptide name
Cytochrome c oxidase subunit 5B, mitochondrial

Ligandability

Cysteine 93 of Cytochrome c oxidase subunit 5B, mitochondrial

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 113 of Cytochrome c oxidase subunit 5B, mitochondrial

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 Cytochrome c oxidase subunit 5B, mitochondrial between cysteines 91 and 113 (60 and 82 respectively in this structure).

Details

Redox score ?
65
PDB code
2ein
Structure name
zinc ion binding structure of bovine heart cytochrome c oxidase in the fully oxidized state
Structure deposition date
2007-03-13
Thiol separation (Å)
3
Half-sphere exposure sum ?
78
Minimum pKa ?
13
% buried
82
Peptide accession
P00428
Residue number A
91
Residue number B
113
Peptide name
Cytochrome c oxidase subunit 5B, mitochondrial

Ligandability

Cysteine 91 of Cytochrome c oxidase subunit 5B, mitochondrial

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 113 of Cytochrome c oxidase subunit 5B, mitochondrial

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 Cytochrome c oxidase subunit 5B, mitochondrial between cysteines 91 and 116 (60 and 85 respectively in this structure).

Details

Redox score ?
63
PDB code
2ein
Structure name
zinc ion binding structure of bovine heart cytochrome c oxidase in the fully oxidized state
Structure deposition date
2007-03-13
Thiol separation (Å)
4
Half-sphere exposure sum ?
64
Minimum pKa ?
13
% buried
nan
Peptide accession
P00428
Residue number A
91
Residue number B
116
Peptide name
Cytochrome c oxidase subunit 5B, mitochondrial

Ligandability

Cysteine 91 of Cytochrome c oxidase subunit 5B, mitochondrial

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 116 of Cytochrome c oxidase subunit 5B, mitochondrial

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 Cytochrome c oxidase subunit 5B, mitochondrial between cysteines 113 and 116 (82 and 85 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
1ocr
Structure name
bovine heart cytochrome c oxidase in the fully reduced state
Structure deposition date
1998-07-07
Thiol separation (Å)
3
Half-sphere exposure sum ?
59
Minimum pKa ?
22
% buried
nan
Peptide accession
P00428
Residue number A
113
Residue number B
116
Peptide name
Cytochrome c oxidase subunit 5B, mitochondrial

Ligandability

Cysteine 113 of Cytochrome c oxidase subunit 5B, mitochondrial

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 116 of Cytochrome c oxidase subunit 5B, mitochondrial

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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