ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Microsomal triglyceride transfer protein large subunit

Intermolecular
Cysteine 397 of Protein disulfide-isomerase and cysteine 866 L
Cysteine 400 of Protein disulfide-isomerase and cysteine 866 L
Intramolecular
Cysteine 298 and cysteine 301
Cysteine 174 and cysteine 194
Cysteine 440 and cysteine 445
Cysteine 827 and cysteine 878
A redox-regulated disulphide may form between cysteine 397 of Protein disulfide-isomerase and cysteine 866 of Microsomal triglyceride transfer protein large subunit. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
6i7s
Structure name
microsomal triglyceride transfer protein
Structure deposition date
2018-11-17
Thiol separation (Å)
8
Half-sphere exposure sum ?
72
Minimum pKa ?
9
% buried
84
Peptide A name
Protein disulfide-isomerase
Peptide B name
Microsomal triglyceride transfer protein large subunit
Peptide A accession
P07237
Peptide B accession
P55157
Peptide A residue number
397
Peptide B residue number
866

Ligandability

Cysteine 397 of Protein disulfide-isomerase

Not ligandable in the dataset of Yang et al.

Ligandable in the dataset of Yan et al.

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 866 of Microsomal triglyceride transfer protein large subunit

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 cysteine 400 of Protein disulfide-isomerase and cysteine 866 of Microsomal triglyceride transfer protein large subunit. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
6i7s
Structure name
microsomal triglyceride transfer protein
Structure deposition date
2018-11-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
69
Minimum pKa ?
11
% buried
86
Peptide A name
Protein disulfide-isomerase
Peptide B name
Microsomal triglyceride transfer protein large subunit
Peptide A accession
P07237
Peptide B accession
P55157
Peptide A residue number
400
Peptide B residue number
866

Ligandability

Cysteine 400 of Protein disulfide-isomerase

Not ligandable in the dataset of Yang et al.

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 866 of Microsomal triglyceride transfer protein large subunit

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 Microsomal triglyceride transfer protein large subunit between cysteines 298 and 301.

Details

Redox score ?
88
PDB code
6i7s
Structure name
microsomal triglyceride transfer protein
Structure deposition date
2018-11-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
23
Minimum pKa ?
nan
% buried
nan
Peptide accession
P55157
Residue number A
298
Residue number B
301
Peptide name
Microsomal triglyceride transfer protein large subunit

Ligandability

Cysteine 298 of Microsomal triglyceride transfer protein large subunit

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 301 of Microsomal triglyceride transfer protein large subunit

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 Microsomal triglyceride transfer protein large subunit between cysteines 174 and 194.

Details

Redox score ?
88
PDB code
6i7s
Structure name
microsomal triglyceride transfer protein
Structure deposition date
2018-11-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
54
Minimum pKa ?
nan
% buried
nan
Peptide accession
P55157
Residue number A
174
Residue number B
194
Peptide name
Microsomal triglyceride transfer protein large subunit

Ligandability

Cysteine 174 of Microsomal triglyceride transfer protein large subunit

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 194 of Microsomal triglyceride transfer protein large subunit

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 Microsomal triglyceride transfer protein large subunit between cysteines 440 and 445.

Details

Redox score ?
84
PDB code
6i7s
Structure name
microsomal triglyceride transfer protein
Structure deposition date
2018-11-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
P55157
Residue number A
440
Residue number B
445
Peptide name
Microsomal triglyceride transfer protein large subunit

Ligandability

Cysteine 440 of Microsomal triglyceride transfer protein large subunit

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 445 of Microsomal triglyceride transfer protein large subunit

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 Microsomal triglyceride transfer protein large subunit between cysteines 827 and 878.

Details

Redox score ?
81
PDB code
6i7s
Structure name
microsomal triglyceride transfer protein
Structure deposition date
2018-11-17
Thiol separation (Å)
2
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
P55157
Residue number A
827
Residue number B
878
Peptide name
Microsomal triglyceride transfer protein large subunit

Ligandability

Cysteine 827 of Microsomal triglyceride transfer protein large subunit

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 878 of Microsomal triglyceride transfer protein large subunit

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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