ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Phosphatidylcholine-sterol acyltransferase

Intramolecular
Cysteine 74 and cysteine 98
Cysteine 337 and cysteine 380
Cysteine 208 and cysteine 337
Cysteine 55 and cysteine 208
Cysteine 208 and cysteine 380
A redox-regulated disulphide may form within Phosphatidylcholine-sterol acyltransferase between cysteines 74 and 98 (50 and 74 respectively in this structure).

Details

Redox score ?
86
PDB code
5txf
Structure name
crystal structure of lecithin:cholesterol acyltransferase (lcat) in a closed conformation
Structure deposition date
2016-11-16
Thiol separation (Å)
2
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide accession
P04180
Residue number A
74
Residue number B
98
Peptide name
Phosphatidylcholine-sterol acyltransferase

Ligandability

Cysteine 74 of Phosphatidylcholine-sterol acyltransferase

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 98 of Phosphatidylcholine-sterol acyltransferase

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 Phosphatidylcholine-sterol acyltransferase between cysteines 337 and 380 (313 and 356 respectively in this structure).

Details

Redox score ?
79
PDB code
4x96
Structure name
low resolution crystal structure of lecithin:cholesterol acyltransferase (lcat; residues 21-397)
Structure deposition date
2014-12-11
Thiol separation (Å)
2
Half-sphere exposure sum ?
83
Minimum pKa ?
nan
% buried
nan
Peptide accession
P04180
Residue number A
337
Residue number B
380
Peptide name
Phosphatidylcholine-sterol acyltransferase

Ligandability

Cysteine 337 of Phosphatidylcholine-sterol acyltransferase

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 380 of Phosphatidylcholine-sterol acyltransferase

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 Phosphatidylcholine-sterol acyltransferase between cysteines 208 and 337 (184 and 313 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
6mvd
Structure name
crystal structure of lecithin:cholesterol acyltransferase (lcat) in complex with isopropyl dodec-11-enylfluorophosphonate (idfp) and a small molecule activator
Structure deposition date
2018-10-25
Thiol separation (Å)
8
Half-sphere exposure sum ?
82
Minimum pKa ?
13
% buried
nan
Peptide accession
P04180
Residue number A
208
Residue number B
337
Peptide name
Phosphatidylcholine-sterol acyltransferase

Ligandability

Cysteine 208 of Phosphatidylcholine-sterol acyltransferase

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 337 of Phosphatidylcholine-sterol acyltransferase

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 Phosphatidylcholine-sterol acyltransferase between cysteines 55 and 208 (31 and 184 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
4x96
Structure name
low resolution crystal structure of lecithin:cholesterol acyltransferase (lcat; residues 21-397)
Structure deposition date
2014-12-11
Thiol separation (Å)
10
Half-sphere exposure sum ?
74
Minimum pKa ?
10
% buried
100
Peptide accession
P04180
Residue number A
55
Residue number B
208
Peptide name
Phosphatidylcholine-sterol acyltransferase

Ligandability

Cysteine 55 of Phosphatidylcholine-sterol acyltransferase

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 208 of Phosphatidylcholine-sterol acyltransferase

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 Phosphatidylcholine-sterol acyltransferase between cysteines 208 and 380 (184 and 356 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
5bv7
Structure name
crystal structure of human lcat (l4f, n5d) in complex with fab of an agonistic antibody
Structure deposition date
2015-06-04
Thiol separation (Å)
10
Half-sphere exposure sum ?
91
Minimum pKa ?
12
% buried
nan
Peptide accession
P04180
Residue number A
208
Residue number B
380
Peptide name
Phosphatidylcholine-sterol acyltransferase

Ligandability

Cysteine 208 of Phosphatidylcholine-sterol acyltransferase

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 380 of Phosphatidylcholine-sterol acyltransferase

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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