ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Protein-serine O-palmitoleoyltransferase porcupine

Intramolecular
Cysteine 375 and cysteine 385
Cysteine 17 and cysteine 209
Cysteine 381 and cysteine 385
Cysteine 375 and cysteine 381
Cysteine 36 and cysteine 39
A redox-regulated disulphide may form within Protein-serine O-palmitoleoyltransferase porcupine between cysteines 375 and 385 (370 and 380 respectively in this structure).

Details

Redox score ?
89
PDB code
7urd
Structure name
human porcn in complex with lgk974 and wnt3a peptide
Structure deposition date
2022-04-21
Thiol separation (Å)
3
Half-sphere exposure sum ?
51
Minimum pKa ?
6
% buried
2
Peptide accession
Q9H237
Residue number A
375
Residue number B
385
Peptide name
Protein-serine O-palmitoleoyltransferase porcupine

Ligandability

Cysteine 375 of Protein-serine O-palmitoleoyltransferase porcupine

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 385 of Protein-serine O-palmitoleoyltransferase porcupine

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-serine O-palmitoleoyltransferase porcupine between cysteines 17 and 209.

Details

Redox score ?
82
PDB code
7urc
Structure name
human porcn in complex with lgk974
Structure deposition date
2022-04-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9H237
Residue number A
17
Residue number B
209
Peptide name
Protein-serine O-palmitoleoyltransferase porcupine

Ligandability

Cysteine 17 of Protein-serine O-palmitoleoyltransferase porcupine

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 209 of Protein-serine O-palmitoleoyltransferase porcupine

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-serine O-palmitoleoyltransferase porcupine between cysteines 381 and 385 (376 and 380 respectively in this structure).

Details

Redox score ?
81
PDB code
7ure
Structure name
human porcn in complex with palmitoleoylated wnt3a peptide
Structure deposition date
2022-04-21
Thiol separation (Å)
4
Half-sphere exposure sum ?
37
Minimum pKa ?
9
% buried
8
Peptide accession
Q9H237
Residue number A
381
Residue number B
385
Peptide name
Protein-serine O-palmitoleoyltransferase porcupine

Ligandability

Cysteine 381 of Protein-serine O-palmitoleoyltransferase porcupine

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 385 of Protein-serine O-palmitoleoyltransferase porcupine

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-serine O-palmitoleoyltransferase porcupine between cysteines 375 and 381 (370 and 376 respectively in this structure).

Details

Redox score ?
81
PDB code
7urd
Structure name
human porcn in complex with lgk974 and wnt3a peptide
Structure deposition date
2022-04-21
Thiol separation (Å)
3
Half-sphere exposure sum ?
54
Minimum pKa ?
9
% buried
7
Peptide accession
Q9H237
Residue number A
375
Residue number B
381
Peptide name
Protein-serine O-palmitoleoyltransferase porcupine

Ligandability

Cysteine 375 of Protein-serine O-palmitoleoyltransferase porcupine

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 381 of Protein-serine O-palmitoleoyltransferase porcupine

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-serine O-palmitoleoyltransferase porcupine between cysteines 36 and 39. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
7ure
Structure name
human porcn in complex with palmitoleoylated wnt3a peptide
Structure deposition date
2022-04-21
Thiol separation (Å)
7
Half-sphere exposure sum ?
78
Minimum pKa ?
11
% buried
88
Peptide accession
Q9H237
Residue number A
36
Residue number B
39
Peptide name
Protein-serine O-palmitoleoyltransferase porcupine

Ligandability

Cysteine 36 of Protein-serine O-palmitoleoyltransferase porcupine

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 39 of Protein-serine O-palmitoleoyltransferase porcupine

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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