ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Cystic fibrosis transmembrane conductance regulator

Intramolecular
Cysteine 524 and cysteine 590
Cysteine 590 and cysteine 592
Cysteine 491 and cysteine 590
Cysteine 491 and cysteine 524
A redox-regulated disulphide may form within Cystic fibrosis transmembrane conductance regulator between cysteines 524 and 590.

Details

Redox score ?
69
PDB code
6gkd
Structure name
human nbd1 of cftr in complex with nanobodies d12 and g3a
Structure deposition date
2018-05-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
76
Minimum pKa ?
9
% buried
100
Peptide accession
Q20BJ8
Residue number A
524
Residue number B
590
Peptide name
Cystic fibrosis transmembrane conductance regulator

Ligandability

Cysteine 524 of Cystic fibrosis transmembrane conductance regulator

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 590 of Cystic fibrosis transmembrane conductance regulator

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 Cystic fibrosis transmembrane conductance regulator between cysteines 590 and 592. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
6gk4
Structure name
human nbd1 of cftr in complex with nanobodies d12 and t8
Structure deposition date
2018-05-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
68
Minimum pKa ?
8
% buried
76
Peptide accession
Q20BJ8
Residue number A
590
Residue number B
592
Peptide name
Cystic fibrosis transmembrane conductance regulator

Ligandability

Cysteine 590 of Cystic fibrosis transmembrane conductance regulator

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 592 of Cystic fibrosis transmembrane conductance regulator

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 Cystic fibrosis transmembrane conductance regulator between cysteines 491 and 590. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
6gk4
Structure name
human nbd1 of cftr in complex with nanobodies d12 and t8
Structure deposition date
2018-05-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
79
Minimum pKa ?
8
% buried
100
Peptide accession
Q20BJ8
Residue number A
491
Residue number B
590
Peptide name
Cystic fibrosis transmembrane conductance regulator

Ligandability

Cysteine 491 of Cystic fibrosis transmembrane conductance regulator

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 590 of Cystic fibrosis transmembrane conductance regulator

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 Cystic fibrosis transmembrane conductance regulator between cysteines 491 and 524. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
6gjs
Structure name
human nbd1 of cftr in complex with nanobodies d12 and t4
Structure deposition date
2018-05-16
Thiol separation (Å)
9
Half-sphere exposure sum ?
87
Minimum pKa ?
12
% buried
100
Peptide accession
Q20BJ8
Residue number A
491
Residue number B
524
Peptide name
Cystic fibrosis transmembrane conductance regulator

Ligandability

Cysteine 491 of Cystic fibrosis transmembrane conductance regulator

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 524 of Cystic fibrosis transmembrane conductance regulator

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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