ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Diacylglycerol O-acyltransferase 1

Intermolecular
Cysteine 68 and cysteine 262
Cysteine 92 and cysteine 92
Intramolecular
Cysteine 262 and cysteine 385
A redox-regulated disulphide may form between two units of Diacylglycerol O-acyltransferase 1 at cysteines 68 and 262.

Details

Redox score ?
73
PDB code
6vyi
Structure name
cryo-em structure of human diacylglycerol o-acyltransferase 1
Structure deposition date
2020-02-26
Thiol separation (Å)
4
Half-sphere exposure sum ?
64
Minimum pKa ?
8
% buried
82
Peptide A name
Diacylglycerol O-acyltransferase 1
Peptide B name
Diacylglycerol O-acyltransferase 1
Peptide A accession
O75907
Peptide B accession
O75907
Peptide A residue number
68
Peptide B residue number
262

Ligandability

Cysteine 68 of Diacylglycerol O-acyltransferase 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 262 of Diacylglycerol O-acyltransferase 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 between two units of Diacylglycerol O-acyltransferase 1 at cysteines 92 and 92. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
6vyi
Structure name
cryo-em structure of human diacylglycerol o-acyltransferase 1
Structure deposition date
2020-02-26
Thiol separation (Å)
6
Half-sphere exposure sum ?
46
Minimum pKa ?
14
% buried
100
Peptide A name
Diacylglycerol O-acyltransferase 1
Peptide B name
Diacylglycerol O-acyltransferase 1
Peptide A accession
O75907
Peptide B accession
O75907
Peptide A residue number
92
Peptide B residue number
92

Ligandability

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 Diacylglycerol O-acyltransferase 1 between cysteines 262 and 385. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
6vp0
Structure name
human diacylglycerol acyltransferase 1 in complex with oleoyl-coa
Structure deposition date
2020-02-01
Thiol separation (Å)
9
Half-sphere exposure sum ?
72
Minimum pKa ?
12
% buried
96
Peptide accession
O75907
Residue number A
262
Residue number B
385
Peptide name
Diacylglycerol O-acyltransferase 1

Ligandability

Cysteine 262 of Diacylglycerol O-acyltransferase 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 385 of Diacylglycerol O-acyltransferase 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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