ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Creatine kinase B-type

Intramolecular
Cysteine 141 and cysteine 146 L
Cysteine 74 and cysteine 283 L
A redox-regulated disulphide may form within Creatine kinase B-type between cysteines 141 and 146. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
7tun
Structure name
crystal structure analysis of human ckb complex with a covalent compound
Structure deposition date
2022-02-03
Thiol separation (Å)
7
Half-sphere exposure sum ?
82
Minimum pKa ?
10
% buried
95
Peptide accession
P12277
Residue number A
141
Residue number B
146
Peptide name
Creatine kinase B-type

Ligandability

Cysteine 141 of Creatine kinase B-type

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 146 of Creatine kinase B-type

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 within Creatine kinase B-type between cysteines 74 and 283. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
4q2r
Structure name
structural proteomics from crude native rod outer segments
Structure deposition date
2014-04-09
Thiol separation (Å)
7
Half-sphere exposure sum ?
90
Minimum pKa ?
11
% buried
100
Peptide accession
Q5EA61
Residue number A
74
Residue number B
283
Peptide name
Creatine kinase B-type

Ligandability

Cysteine 74 of Creatine kinase B-type

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 283 of Creatine kinase B-type

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.

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