ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Protein patched homolog 1

Intramolecular
Cysteine 189 and cysteine 212
Cysteine 282 and cysteine 290
Cysteine 234 and cysteine 327
Cysteine 1038 and cysteine 1043
A redox-regulated disulphide may form within Protein patched homolog 1 between cysteines 189 and 212.

Details

Redox score ?
82
PDB code
7v6y
Structure name
cryo-em structure of patched in lipid nanodisc - the wildtype, 3
Structure deposition date
2021-08-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q61115
Residue number A
189
Residue number B
212
Peptide name
Protein patched homolog 1

Ligandability

Cysteine 189 of Protein patched homolog 1

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 212 of Protein patched homolog 1

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 Protein patched homolog 1 between cysteines 282 and 290.

Details

Redox score ?
82
PDB code
7v6z
Structure name
cryo-em structure of patched1 (v1084a mutant) in lipid nanodisc, 3
Structure deposition date
2021-08-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q61115
Residue number A
282
Residue number B
290
Peptide name
Protein patched homolog 1

Ligandability

Cysteine 282 of Protein patched homolog 1

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 290 of Protein patched homolog 1

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 Protein patched homolog 1 between cysteines 234 and 327.

Details

Redox score ?
79
PDB code
6rtw
Structure name
crystal structure of the patched-1 (ptch1) ectodomain in complex with nanobody nb64 and cholesterol-hemisuccinate
Structure deposition date
2019-05-27
Thiol separation (Å)
2
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q13635
Residue number A
234
Residue number B
327
Peptide name
Protein patched homolog 1

Ligandability

Cysteine 234 of Protein patched homolog 1

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 327 of Protein patched homolog 1

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 Protein patched homolog 1 between cysteines 1038 and 1043. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
6rvd
Structure name
revised cryo-em structure of the human 2:1 ptch1-shh complex
Structure deposition date
2019-05-31
Thiol separation (Å)
10
Half-sphere exposure sum ?
72
Minimum pKa ?
10
% buried
60
Peptide accession
Q13635
Residue number A
1038
Residue number B
1043
Peptide name
Protein patched homolog 1

Ligandability

Cysteine 1038 of Protein patched homolog 1

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 1043 of Protein patched homolog 1

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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