ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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BMAL1b

Intramolecular
Cysteine 253 and cysteine 280
Cysteine 164 and cysteine 313
Cysteine 249 and cysteine 280
A redox-regulated disulphide may form within BMAL1b between cysteines 253 and 280.

Details

Redox score ?
77
PDB code
4f3l
Structure name
crystal structure of the heterodimeric clock:bmal1 transcriptional activator complex
Structure deposition date
2012-05-09
Thiol separation (Å)
3
Half-sphere exposure sum ?
59
Minimum pKa ?
10
% buried
50
Peptide accession
Q6F6D6
Residue number A
253
Residue number B
280
Peptide name
BMAL1b

Ligandability

Cysteine 253 of BMAL1b

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 280 of BMAL1b

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 BMAL1b between cysteines 164 and 313. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
57
PDB code
4f3l
Structure name
crystal structure of the heterodimeric clock:bmal1 transcriptional activator complex
Structure deposition date
2012-05-09
Thiol separation (Å)
6
Half-sphere exposure sum ?
64
Minimum pKa ?
10
% buried
52
Peptide accession
Q6F6D6
Residue number A
164
Residue number B
313
Peptide name
BMAL1b

Ligandability

Cysteine 164 of BMAL1b

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 313 of BMAL1b

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 BMAL1b between cysteines 249 and 280. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
4f3l
Structure name
crystal structure of the heterodimeric clock:bmal1 transcriptional activator complex
Structure deposition date
2012-05-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
69
Minimum pKa ?
13
% buried
82
Peptide accession
Q6F6D6
Residue number A
249
Residue number B
280
Peptide name
BMAL1b

Ligandability

Cysteine 249 of BMAL1b

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 280 of BMAL1b

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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