ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Home
About
List

Inositol 1,4,5-trisphosphate receptor type 1

Intramolecular
Cysteine 1462 and cysteine 1522
Cysteine 2216 and cysteine 2643
Cysteine 1397 and cysteine 1430
Cysteine 2611 and cysteine 2614
Cysteine 553 and cysteine 556
Cysteine 1459 and cysteine 1462 L
Cysteine 992 and cysteine 995
Cysteine 2001 and cysteine 2054
Cysteine 2044 and cysteine 2048
Cysteine 1990 and cysteine 2001
More...
Cysteine 653 and cysteine 744
Cysteine 849 and cysteine 897
Cysteine 638 and cysteine 653
Cysteine 1284 and cysteine 1326
Cysteine 1977 and cysteine 2048
Cysteine 1385 and cysteine 1397
Cysteine 1187 and cysteine 1245
Cysteine 2528 and cysteine 2534
Cysteine 1326 and cysteine 1385
Cysteine 2044 and cysteine 2054
Cysteine 1990 and cysteine 2054
Cysteine 2363 and cysteine 2402
Cysteine 37 and cysteine 56
Cysteine 56 and cysteine 292
Cysteine 56 and cysteine 206
Cysteine 15 and cysteine 292
Cysteine 2048 and cysteine 2054
Cysteine 638 and cysteine 744
Cysteine 37 and cysteine 206
Cysteine 1385 and cysteine 1430
Cysteine 767 and cysteine 782
Cysteine 2009 and cysteine 2011
Cysteine 15 and cysteine 56
Cysteine 1977 and cysteine 2044
A redox-regulated disulphide may form within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 1462 and 1522.

Details

Redox score ?
77
PDB code
8ear
Structure name
structure of the full-length ip3r1 channel determined in the presence of calcium/ip3/atp
Structure deposition date
2022-08-29
Thiol separation (Å)
5
Half-sphere exposure sum ?
54
Minimum pKa ?
7
% buried
52
Peptide accession
P29994
Residue number A
1462
Residue number B
1522
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 1462 of Inositol 1,4,5-trisphosphate receptor type 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 1522 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 2216 and 2643.

Details

Redox score ?
77
PDB code
7lhe
Structure name
structure of full-length ip3r1 channel reconstituted into lipid nanodisc in the apo-state
Structure deposition date
2021-01-22
Thiol separation (Å)
4
Half-sphere exposure sum ?
70
Minimum pKa ?
7
% buried
78
Peptide accession
P29994
Residue number A
2216
Residue number B
2643
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 2216 of Inositol 1,4,5-trisphosphate receptor type 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 2643 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 1397 and 1430.

Details

Redox score ?
70
PDB code
8ear
Structure name
structure of the full-length ip3r1 channel determined in the presence of calcium/ip3/atp
Structure deposition date
2022-08-29
Thiol separation (Å)
3
Half-sphere exposure sum ?
84
Minimum pKa ?
10
% buried
100
Peptide accession
P29994
Residue number A
1397
Residue number B
1430
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 1397 of Inositol 1,4,5-trisphosphate receptor type 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 1430 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 2611 and 2614.

Details

Redox score ?
69
PDB code
8ear
Structure name
structure of the full-length ip3r1 channel determined in the presence of calcium/ip3/atp
Structure deposition date
2022-08-29
Thiol separation (Å)
3
Half-sphere exposure sum ?
71
Minimum pKa ?
14
% buried
nan
Peptide accession
P29994
Residue number A
2611
Residue number B
2614
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 2611 of Inositol 1,4,5-trisphosphate receptor type 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 2614 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 553 and 556.

Details

Redox score ?
65
PDB code
5xa1
Structure name
crystal structure of inositol 1,4,5-trisphosphate receptor cytosolic domain with inositol 1,4,5-trisphosphate
Structure deposition date
2017-03-10
Thiol separation (Å)
4
Half-sphere exposure sum ?
71
Minimum pKa ?
10
% buried
54
Peptide accession
P11881
Residue number A
553
Residue number B
556
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 553 of Inositol 1,4,5-trisphosphate receptor type 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 556 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 1459 and 1462. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
8ear
Structure name
structure of the full-length ip3r1 channel determined in the presence of calcium/ip3/atp
Structure deposition date
2022-08-29
Thiol separation (Å)
7
Half-sphere exposure sum ?
56
Minimum pKa ?
9
% buried
34
Peptide accession
P29994
Residue number A
1459
Residue number B
1462
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 1459 of Inositol 1,4,5-trisphosphate receptor type 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.

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 1462 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 992 and 995. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
7lhf
Structure name
structure of full-length ip3r1 channel solubilized in lnmg & lipid in the apo-state
Structure deposition date
2021-01-22
Thiol separation (Å)
7
Half-sphere exposure sum ?
52
Minimum pKa ?
10
% buried
37
Peptide accession
P29994
Residue number A
992
Residue number B
995
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 992 of Inositol 1,4,5-trisphosphate receptor type 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 995 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 2001 and 2054. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
7lhe
Structure name
structure of full-length ip3r1 channel reconstituted into lipid nanodisc in the apo-state
Structure deposition date
2021-01-22
Thiol separation (Å)
7
Half-sphere exposure sum ?
66
Minimum pKa ?
10
% buried
46
Peptide accession
P29994
Residue number A
2001
Residue number B
2054
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 2001 of Inositol 1,4,5-trisphosphate receptor type 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 2054 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 2044 and 2048. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
7lhe
Structure name
structure of full-length ip3r1 channel reconstituted into lipid nanodisc in the apo-state
Structure deposition date
2021-01-22
Thiol separation (Å)
7
Half-sphere exposure sum ?
72
Minimum pKa ?
10
% buried
82
Peptide accession
P29994
Residue number A
2044
Residue number B
2048
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 2044 of Inositol 1,4,5-trisphosphate receptor type 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 2048 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 1990 and 2001. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
8ear
Structure name
structure of the full-length ip3r1 channel determined in the presence of calcium/ip3/atp
Structure deposition date
2022-08-29
Thiol separation (Å)
8
Half-sphere exposure sum ?
58
Minimum pKa ?
9
% buried
34
Peptide accession
P29994
Residue number A
1990
Residue number B
2001
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 1990 of Inositol 1,4,5-trisphosphate receptor type 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 2001 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 653 and 744. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
7lhf
Structure name
structure of full-length ip3r1 channel solubilized in lnmg & lipid in the apo-state
Structure deposition date
2021-01-22
Thiol separation (Å)
8
Half-sphere exposure sum ?
70
Minimum pKa ?
10
% buried
50
Peptide accession
P29994
Residue number A
653
Residue number B
744
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 653 of Inositol 1,4,5-trisphosphate receptor type 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 744 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 849 and 897. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
8ear
Structure name
structure of the full-length ip3r1 channel determined in the presence of calcium/ip3/atp
Structure deposition date
2022-08-29
Thiol separation (Å)
9
Half-sphere exposure sum ?
39
Minimum pKa ?
9
% buried
6
Peptide accession
P29994
Residue number A
849
Residue number B
897
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 849 of Inositol 1,4,5-trisphosphate receptor type 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 897 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 638 and 653. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
7lhe
Structure name
structure of full-length ip3r1 channel reconstituted into lipid nanodisc in the apo-state
Structure deposition date
2021-01-22
Thiol separation (Å)
8
Half-sphere exposure sum ?
80
Minimum pKa ?
10
% buried
68
Peptide accession
P29994
Residue number A
638
Residue number B
653
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 638 of Inositol 1,4,5-trisphosphate receptor type 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 653 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 1284 and 1326. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
7lhf
Structure name
structure of full-length ip3r1 channel solubilized in lnmg & lipid in the apo-state
Structure deposition date
2021-01-22
Thiol separation (Å)
9
Half-sphere exposure sum ?
60
Minimum pKa ?
10
% buried
50
Peptide accession
P29994
Residue number A
1284
Residue number B
1326
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 1284 of Inositol 1,4,5-trisphosphate receptor type 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 1326 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 1977 and 2048. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
8ear
Structure name
structure of the full-length ip3r1 channel determined in the presence of calcium/ip3/atp
Structure deposition date
2022-08-29
Thiol separation (Å)
8
Half-sphere exposure sum ?
74
Minimum pKa ?
11
% buried
86
Peptide accession
P29994
Residue number A
1977
Residue number B
2048
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 1977 of Inositol 1,4,5-trisphosphate receptor type 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 2048 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 1385 and 1397. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
8ear
Structure name
structure of the full-length ip3r1 channel determined in the presence of calcium/ip3/atp
Structure deposition date
2022-08-29
Thiol separation (Å)
7
Half-sphere exposure sum ?
84
Minimum pKa ?
13
% buried
100
Peptide accession
P29994
Residue number A
1385
Residue number B
1397
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 1385 of Inositol 1,4,5-trisphosphate receptor type 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 1397 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 1187 and 1245. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
7lhe
Structure name
structure of full-length ip3r1 channel reconstituted into lipid nanodisc in the apo-state
Structure deposition date
2021-01-22
Thiol separation (Å)
9
Half-sphere exposure sum ?
68
Minimum pKa ?
10
% buried
79
Peptide accession
P29994
Residue number A
1187
Residue number B
1245
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 1187 of Inositol 1,4,5-trisphosphate receptor type 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 1245 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 2528 and 2534. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
6mu2
Structure name
structure of full-length ip3r1 channel in the apo-state
Structure deposition date
2018-10-22
Thiol separation (Å)
10
Half-sphere exposure sum ?
49
Minimum pKa ?
9
% buried
44
Peptide accession
P29994
Residue number A
2528
Residue number B
2534
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 2528 of Inositol 1,4,5-trisphosphate receptor type 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 2534 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 1326 and 1385. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
7lhe
Structure name
structure of full-length ip3r1 channel reconstituted into lipid nanodisc in the apo-state
Structure deposition date
2021-01-22
Thiol separation (Å)
8
Half-sphere exposure sum ?
70
Minimum pKa ?
11
% buried
75
Peptide accession
P29994
Residue number A
1326
Residue number B
1385
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 1326 of Inositol 1,4,5-trisphosphate receptor type 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 1385 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 2044 and 2054. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
7lhf
Structure name
structure of full-length ip3r1 channel solubilized in lnmg & lipid in the apo-state
Structure deposition date
2021-01-22
Thiol separation (Å)
9
Half-sphere exposure sum ?
77
Minimum pKa ?
10
% buried
82
Peptide accession
P29994
Residue number A
2044
Residue number B
2054
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 2044 of Inositol 1,4,5-trisphosphate receptor type 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 2054 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 1990 and 2054. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
7lhf
Structure name
structure of full-length ip3r1 channel solubilized in lnmg & lipid in the apo-state
Structure deposition date
2021-01-22
Thiol separation (Å)
10
Half-sphere exposure sum ?
56
Minimum pKa ?
9
% buried
42
Peptide accession
P29994
Residue number A
1990
Residue number B
2054
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 1990 of Inositol 1,4,5-trisphosphate receptor type 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 2054 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 2363 and 2402. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
7lhf
Structure name
structure of full-length ip3r1 channel solubilized in lnmg & lipid in the apo-state
Structure deposition date
2021-01-22
Thiol separation (Å)
10
Half-sphere exposure sum ?
60
Minimum pKa ?
10
% buried
40
Peptide accession
P29994
Residue number A
2363
Residue number B
2402
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 2363 of Inositol 1,4,5-trisphosphate receptor type 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 2402 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 37 and 56. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
6mu1
Structure name
structure of full-length ip3r1 channel bound with adenophostin a
Structure deposition date
2018-10-22
Thiol separation (Å)
8
Half-sphere exposure sum ?
78
Minimum pKa ?
12
% buried
94
Peptide accession
P29994
Residue number A
37
Residue number B
56
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 37 of Inositol 1,4,5-trisphosphate receptor type 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 56 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 56 and 292. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
7lhf
Structure name
structure of full-length ip3r1 channel solubilized in lnmg & lipid in the apo-state
Structure deposition date
2021-01-22
Thiol separation (Å)
10
Half-sphere exposure sum ?
72
Minimum pKa ?
11
% buried
71
Peptide accession
P29994
Residue number A
56
Residue number B
292
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 56 of Inositol 1,4,5-trisphosphate receptor type 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 292 of Inositol 1,4,5-trisphosphate receptor type 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 within Isoform 2 of Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 56 and 206. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
3t8s
Structure name
apo and insp3-bound crystal structures of the ligand-binding domain of an insp3 receptor
Structure deposition date
2011-08-01
Thiol separation (Å)
10
Half-sphere exposure sum ?
65
Minimum pKa ?
10
% buried
58
Peptide accession
P29994-2
Residue number A
56
Residue number B
206
Peptide name
Isoform 2 of Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 56 of Isoform 2 of Inositol 1,4,5-trisphosphate receptor type 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 206 of Isoform 2 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 15 and 292. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
5xa0
Structure name
crystal structure of inositol 1,4,5-trisphosphate receptor cytosolic domain
Structure deposition date
2017-03-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
80
Minimum pKa ?
12
% buried
86
Peptide accession
P11881
Residue number A
15
Residue number B
292
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 15 of Inositol 1,4,5-trisphosphate receptor type 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 292 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 2048 and 2054. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
7lhf
Structure name
structure of full-length ip3r1 channel solubilized in lnmg & lipid in the apo-state
Structure deposition date
2021-01-22
Thiol separation (Å)
10
Half-sphere exposure sum ?
63
Minimum pKa ?
10
% buried
68
Peptide accession
P29994
Residue number A
2048
Residue number B
2054
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 2048 of Inositol 1,4,5-trisphosphate receptor type 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 2054 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 638 and 744. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
7lhf
Structure name
structure of full-length ip3r1 channel solubilized in lnmg & lipid in the apo-state
Structure deposition date
2021-01-22
Thiol separation (Å)
10
Half-sphere exposure sum ?
77
Minimum pKa ?
11
% buried
76
Peptide accession
P29994
Residue number A
638
Residue number B
744
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 638 of Inositol 1,4,5-trisphosphate receptor type 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 744 of Inositol 1,4,5-trisphosphate receptor type 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 within Isoform 2 of Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 37 and 206. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
3t8s
Structure name
apo and insp3-bound crystal structures of the ligand-binding domain of an insp3 receptor
Structure deposition date
2011-08-01
Thiol separation (Å)
10
Half-sphere exposure sum ?
75
Minimum pKa ?
12
% buried
76
Peptide accession
P29994-2
Residue number A
37
Residue number B
206
Peptide name
Isoform 2 of Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 37 of Isoform 2 of Inositol 1,4,5-trisphosphate receptor type 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 206 of Isoform 2 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 1385 and 1430. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
8ear
Structure name
structure of the full-length ip3r1 channel determined in the presence of calcium/ip3/atp
Structure deposition date
2022-08-29
Thiol separation (Å)
10
Half-sphere exposure sum ?
85
Minimum pKa ?
10
% buried
100
Peptide accession
P29994
Residue number A
1385
Residue number B
1430
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 1385 of Inositol 1,4,5-trisphosphate receptor type 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 1430 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 767 and 782. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
8ear
Structure name
structure of the full-length ip3r1 channel determined in the presence of calcium/ip3/atp
Structure deposition date
2022-08-29
Thiol separation (Å)
9
Half-sphere exposure sum ?
73
Minimum pKa ?
12
% buried
100
Peptide accession
P29994
Residue number A
767
Residue number B
782
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 767 of Inositol 1,4,5-trisphosphate receptor type 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 782 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 2009 and 2011. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
8ear
Structure name
structure of the full-length ip3r1 channel determined in the presence of calcium/ip3/atp
Structure deposition date
2022-08-29
Thiol separation (Å)
10
Half-sphere exposure sum ?
75
Minimum pKa ?
12
% buried
88
Peptide accession
P29994
Residue number A
2009
Residue number B
2011
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 2009 of Inositol 1,4,5-trisphosphate receptor type 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 2011 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 15 and 56. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
27
PDB code
3jav
Structure name
structure of full-length ip3r1 channel in the apo-state determined by single particle cryo-em
Structure deposition date
2015-06-30
Thiol separation (Å)
10
Half-sphere exposure sum ?
81
Minimum pKa ?
12
% buried
100
Peptide accession
P29994
Residue number A
15
Residue number B
56
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 15 of Inositol 1,4,5-trisphosphate receptor type 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 56 of Inositol 1,4,5-trisphosphate receptor type 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 within Inositol 1,4,5-trisphosphate receptor type 1 between cysteines 1977 and 2044. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
23
PDB code
7lhf
Structure name
structure of full-length ip3r1 channel solubilized in lnmg & lipid in the apo-state
Structure deposition date
2021-01-22
Thiol separation (Å)
10
Half-sphere exposure sum ?
84
Minimum pKa ?
14
% buried
100
Peptide accession
P29994
Residue number A
1977
Residue number B
2044
Peptide name
Inositol 1,4,5-trisphosphate receptor type 1

Ligandability

Cysteine 1977 of Inositol 1,4,5-trisphosphate receptor type 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 2044 of Inositol 1,4,5-trisphosphate receptor type 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.

If this tool was useful for finding a disulphide, please cite: