ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Inositol 1,4,5-trisphosphate receptor type 3

Intramolecular
Cysteine 2455 and cysteine 2461
Cysteine 1905 and cysteine 1958
Cysteine 2538 and cysteine 2541
Cysteine 1894 and cysteine 1905
Cysteine 1948 and cysteine 1952
Cysteine 1881 and cysteine 1952
Cysteine 1894 and cysteine 1958
Cysteine 1952 and cysteine 1958
Cysteine 1948 and cysteine 1958
Cysteine 1881 and cysteine 1948
A redox-regulated disulphide may form within Inositol 1,4,5-trisphosphate receptor type 3 between cysteines 2455 and 2461.

Details

Redox score ?
84
PDB code
7t3u
Structure name
ip3, atp, and ca2+ bound type 3 ip3 receptor in the inactive state
Structure deposition date
2021-12-08
Thiol separation (Å)
2
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q14573
Residue number A
2455
Residue number B
2461
Peptide name
Inositol 1,4,5-trisphosphate receptor type 3

Ligandability

Cysteine 2455 of Inositol 1,4,5-trisphosphate receptor type 3

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 2461 of Inositol 1,4,5-trisphosphate receptor type 3

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 Inositol 1,4,5-trisphosphate receptor type 3 between cysteines 1905 and 1958.

Details

Redox score ?
74
PDB code
7t3u
Structure name
ip3, atp, and ca2+ bound type 3 ip3 receptor in the inactive state
Structure deposition date
2021-12-08
Thiol separation (Å)
3
Half-sphere exposure sum ?
64
Minimum pKa ?
9
% buried
46
Peptide accession
Q14573
Residue number A
1905
Residue number B
1958
Peptide name
Inositol 1,4,5-trisphosphate receptor type 3

Ligandability

Cysteine 1905 of Inositol 1,4,5-trisphosphate receptor type 3

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 1958 of Inositol 1,4,5-trisphosphate receptor type 3

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 Inositol 1,4,5-trisphosphate receptor type 3 between cysteines 2538 and 2541.

Details

Redox score ?
63
PDB code
7t3u
Structure name
ip3, atp, and ca2+ bound type 3 ip3 receptor in the inactive state
Structure deposition date
2021-12-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
72
Minimum pKa ?
14
% buried
nan
Peptide accession
Q14573
Residue number A
2538
Residue number B
2541
Peptide name
Inositol 1,4,5-trisphosphate receptor type 3

Ligandability

Cysteine 2538 of Inositol 1,4,5-trisphosphate receptor type 3

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 2541 of Inositol 1,4,5-trisphosphate receptor type 3

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 Inositol 1,4,5-trisphosphate receptor type 3 between cysteines 1894 and 1905. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
7t3u
Structure name
ip3, atp, and ca2+ bound type 3 ip3 receptor in the inactive state
Structure deposition date
2021-12-08
Thiol separation (Å)
9
Half-sphere exposure sum ?
59
Minimum pKa ?
6
% buried
24
Peptide accession
Q14573
Residue number A
1894
Residue number B
1905
Peptide name
Inositol 1,4,5-trisphosphate receptor type 3

Ligandability

Cysteine 1894 of Inositol 1,4,5-trisphosphate receptor type 3

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 1905 of Inositol 1,4,5-trisphosphate receptor type 3

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 Inositol 1,4,5-trisphosphate receptor type 3 between cysteines 1948 and 1952. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
7t3u
Structure name
ip3, atp, and ca2+ bound type 3 ip3 receptor in the inactive state
Structure deposition date
2021-12-08
Thiol separation (Å)
8
Half-sphere exposure sum ?
74
Minimum pKa ?
9
% buried
79
Peptide accession
Q14573
Residue number A
1948
Residue number B
1952
Peptide name
Inositol 1,4,5-trisphosphate receptor type 3

Ligandability

Cysteine 1948 of Inositol 1,4,5-trisphosphate receptor type 3

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 1952 of Inositol 1,4,5-trisphosphate receptor type 3

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 Inositol 1,4,5-trisphosphate receptor type 3 between cysteines 1881 and 1952. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
7t3u
Structure name
ip3, atp, and ca2+ bound type 3 ip3 receptor in the inactive state
Structure deposition date
2021-12-08
Thiol separation (Å)
8
Half-sphere exposure sum ?
75
Minimum pKa ?
10
% buried
81
Peptide accession
Q14573
Residue number A
1881
Residue number B
1952
Peptide name
Inositol 1,4,5-trisphosphate receptor type 3

Ligandability

Cysteine 1881 of Inositol 1,4,5-trisphosphate receptor type 3

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 1952 of Inositol 1,4,5-trisphosphate receptor type 3

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 Inositol 1,4,5-trisphosphate receptor type 3 between cysteines 1894 and 1958. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
7t3u
Structure name
ip3, atp, and ca2+ bound type 3 ip3 receptor in the inactive state
Structure deposition date
2021-12-08
Thiol separation (Å)
9
Half-sphere exposure sum ?
55
Minimum pKa ?
9
% buried
31
Peptide accession
Q14573
Residue number A
1894
Residue number B
1958
Peptide name
Inositol 1,4,5-trisphosphate receptor type 3

Ligandability

Cysteine 1894 of Inositol 1,4,5-trisphosphate receptor type 3

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 1958 of Inositol 1,4,5-trisphosphate receptor type 3

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 Inositol 1,4,5-trisphosphate receptor type 3 between cysteines 1952 and 1958. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
7t3u
Structure name
ip3, atp, and ca2+ bound type 3 ip3 receptor in the inactive state
Structure deposition date
2021-12-08
Thiol separation (Å)
9
Half-sphere exposure sum ?
65
Minimum pKa ?
9
% buried
58
Peptide accession
Q14573
Residue number A
1952
Residue number B
1958
Peptide name
Inositol 1,4,5-trisphosphate receptor type 3

Ligandability

Cysteine 1952 of Inositol 1,4,5-trisphosphate receptor type 3

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 1958 of Inositol 1,4,5-trisphosphate receptor type 3

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 Inositol 1,4,5-trisphosphate receptor type 3 between cysteines 1948 and 1958. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
7t3u
Structure name
ip3, atp, and ca2+ bound type 3 ip3 receptor in the inactive state
Structure deposition date
2021-12-08
Thiol separation (Å)
9
Half-sphere exposure sum ?
73
Minimum pKa ?
12
% buried
77
Peptide accession
Q14573
Residue number A
1948
Residue number B
1958
Peptide name
Inositol 1,4,5-trisphosphate receptor type 3

Ligandability

Cysteine 1948 of Inositol 1,4,5-trisphosphate receptor type 3

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 1958 of Inositol 1,4,5-trisphosphate receptor type 3

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 Inositol 1,4,5-trisphosphate receptor type 3 between cysteines 1881 and 1948. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
22
PDB code
7t3u
Structure name
ip3, atp, and ca2+ bound type 3 ip3 receptor in the inactive state
Structure deposition date
2021-12-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
86
Minimum pKa ?
13
% buried
100
Peptide accession
Q14573
Residue number A
1881
Residue number B
1948
Peptide name
Inositol 1,4,5-trisphosphate receptor type 3

Ligandability

Cysteine 1881 of Inositol 1,4,5-trisphosphate receptor type 3

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 1948 of Inositol 1,4,5-trisphosphate receptor type 3

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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