ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Insulin, isoform 2

Intermolecular
Cysteine 96 of Insulin and cysteine 31
Cysteine 43 and cysteine 109 of Insulin
Cysteine 100 of Insulin and cysteine 31
Cysteine 95 of Insulin and cysteine 31
A redox-regulated disulphide may form between cysteine 96 of Insulin and cysteine 31 of Insulin, isoform 2 (7 and 7 respectively in this structure).

Details

Redox score ?
86
PDB code
8guy
Structure name
human insulin receptor bound with two insulin molecules
Structure deposition date
2022-09-14
Thiol separation (Å)
2
Half-sphere exposure sum ?
60
Minimum pKa ?
nan
% buried
nan
Peptide A name
Insulin
Peptide B name
Insulin, isoform 2
Peptide A accession
P01308
Peptide B accession
F8WCM5
Peptide A residue number
96
Peptide B residue number
31

Ligandability

Cysteine 96 of Insulin

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 31 of Insulin, isoform 2

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 43 of Insulin, isoform 2 and cysteine 109 of Insulin (19 and 20 respectively in this structure).

Details

Redox score ?
85
PDB code
7yq4
Structure name
human insulin receptor bound with a62 dna aptamer and insulin - locally refined
Structure deposition date
2022-08-05
Thiol separation (Å)
2
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide A name
Insulin, isoform 2
Peptide B name
Insulin
Peptide A accession
F8WCM5
Peptide B accession
P01308
Peptide A residue number
43
Peptide B residue number
109

Ligandability

Cysteine 43 of Insulin, isoform 2

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 109 of Insulin

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 100 of Insulin and cysteine 31 of Insulin, isoform 2 (11 and 7 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
7yq3
Structure name
human insulin receptor bound with a43 dna aptamer and insulin
Structure deposition date
2022-08-05
Thiol separation (Å)
8
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide A name
Insulin
Peptide B name
Insulin, isoform 2
Peptide A accession
P01308
Peptide B accession
F8WCM5
Peptide A residue number
100
Peptide B residue number
31

Ligandability

Cysteine 100 of Insulin

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 31 of Insulin, isoform 2

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 95 of Insulin and cysteine 31 of Insulin, isoform 2 (6 and 7 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
7yq3
Structure name
human insulin receptor bound with a43 dna aptamer and insulin
Structure deposition date
2022-08-05
Thiol separation (Å)
8
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide A name
Insulin
Peptide B name
Insulin, isoform 2
Peptide A accession
P01308
Peptide B accession
F8WCM5
Peptide A residue number
95
Peptide B residue number
31

Ligandability

Cysteine 95 of Insulin

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 31 of Insulin, isoform 2

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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