ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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NF-kappa-B inhibitor beta

Intermolecular
Cysteine 197 of Transcription factor p65 and cysteine 240
Intramolecular
Cysteine 142 and cysteine 144
A redox-regulated disulphide may form between cysteine 197 of Transcription factor p65 and cysteine 240 of NF-kappa-B inhibitor beta. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
1k3z
Structure name
x-ray crystal structure of the ikbb/nf-kb p65 homodimer complex
Structure deposition date
2001-10-04
Thiol separation (Å)
9
Half-sphere exposure sum ?
73
Minimum pKa ?
12
% buried
95
Peptide A name
Transcription factor p65
Peptide B name
NF-kappa-B inhibitor beta
Peptide A accession
Q04207
Peptide B accession
Q60778
Peptide A residue number
197
Peptide B residue number
240

Ligandability

Cysteine 197 of Transcription factor p65

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 240 of NF-kappa-B inhibitor beta

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 NF-kappa-B inhibitor beta between cysteines 142 and 144. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
1k3z
Structure name
x-ray crystal structure of the ikbb/nf-kb p65 homodimer complex
Structure deposition date
2001-10-04
Thiol separation (Å)
9
Half-sphere exposure sum ?
70
Minimum pKa ?
10
% buried
44
Peptide accession
Q60778
Residue number A
142
Residue number B
144
Peptide name
NF-kappa-B inhibitor beta

Ligandability

Cysteine 142 of NF-kappa-B inhibitor beta

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 144 of NF-kappa-B inhibitor beta

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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