ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Serine/threonine-protein kinase mTOR

Intermolecular
Cysteine 1498 and cysteine 304 of DEP domain-containing mTOR-interacting protein L
Intramolecular
Cysteine 1497 and cysteine 1498
Cysteine 606 and cysteine 626
Cysteine 361 and cysteine 362
Cysteine 674 and cysteine 713
Cysteine 1593 and cysteine 1626
Cysteine 2539 and cysteine 2541
Cysteine 626 and cysteine 674
Cysteine 2541 and cysteine 2546
A redox-regulated disulphide may form between cysteine 1498 of Serine/threonine-protein kinase mTOR and cysteine 304 of DEP domain-containing mTOR-interacting protein.

Details

Redox score ?
62
PDB code
7pe9
Structure name
cryo-em structure of deptor bound to human mtor complex 2, dept-bound subset local refinement
Structure deposition date
2021-08-09
Thiol separation (Å)
8
Half-sphere exposure sum ?
nan
Minimum pKa ?
6
% buried
25
Peptide A name
Serine/threonine-protein kinase mTOR
Peptide B name
DEP domain-containing mTOR-interacting protein
Peptide A accession
P42345
Peptide B accession
Q8TB45
Peptide A residue number
1498
Peptide B residue number
304

Ligandability

Cysteine 1498 of Serine/threonine-protein kinase mTOR

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 304 of DEP domain-containing mTOR-interacting protein

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Serine/threonine-protein kinase mTOR between cysteines 1497 and 1498.

Details

Redox score ?
68
PDB code
4jsn
Structure name
structure of mtordeltan-mlst8 complex
Structure deposition date
2013-03-22
Thiol separation (Å)
5
Half-sphere exposure sum ?
58
Minimum pKa ?
9
% buried
52
Peptide accession
P42345
Residue number A
1497
Residue number B
1498
Peptide name
Serine/threonine-protein kinase mTOR

Ligandability

Cysteine 1497 of Serine/threonine-protein kinase mTOR

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 1498 of Serine/threonine-protein kinase mTOR

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 Serine/threonine-protein kinase mTOR between cysteines 606 and 626. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
7tzo
Structure name
the apo structure of human mtorc2 complex
Structure deposition date
2022-02-16
Thiol separation (Å)
6
Half-sphere exposure sum ?
73
Minimum pKa ?
11
% buried
75
Peptide accession
P42345
Residue number A
606
Residue number B
626
Peptide name
Serine/threonine-protein kinase mTOR

Ligandability

Cysteine 606 of Serine/threonine-protein kinase mTOR

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 626 of Serine/threonine-protein kinase mTOR

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 Serine/threonine-protein kinase mTOR between cysteines 361 and 362. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
7uxc
Structure name
cryo-em structure of the mtorc1-tfeb-rag-ragulator complex with symmetry expansion
Structure deposition date
2022-05-05
Thiol separation (Å)
9
Half-sphere exposure sum ?
52
Minimum pKa ?
9
% buried
42
Peptide accession
P42345
Residue number A
361
Residue number B
362
Peptide name
Serine/threonine-protein kinase mTOR

Ligandability

Cysteine 361 of Serine/threonine-protein kinase mTOR

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 362 of Serine/threonine-protein kinase mTOR

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 Serine/threonine-protein kinase mTOR between cysteines 674 and 713. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
5h64
Structure name
cryo-em structure of mtorc1
Structure deposition date
2016-11-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
58
Minimum pKa ?
9
% buried
52
Peptide accession
P42345
Residue number A
674
Residue number B
713
Peptide name
Serine/threonine-protein kinase mTOR

Ligandability

Cysteine 674 of Serine/threonine-protein kinase mTOR

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 713 of Serine/threonine-protein kinase mTOR

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 Serine/threonine-protein kinase mTOR between cysteines 1593 and 1626. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
5wbu
Structure name
crystal structure of mtor(deltan)-mlst8-pras40(alpha-helix & beta- strand) complex
Structure deposition date
2017-06-29
Thiol separation (Å)
10
Half-sphere exposure sum ?
47
Minimum pKa ?
9
% buried
28
Peptide accession
P42345
Residue number A
1593
Residue number B
1626
Peptide name
Serine/threonine-protein kinase mTOR

Ligandability

Cysteine 1593 of Serine/threonine-protein kinase mTOR

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 1626 of Serine/threonine-protein kinase mTOR

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 Serine/threonine-protein kinase mTOR between cysteines 2539 and 2541. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
4jt5
Structure name
mtordeltan-mlst8-pp242 complex
Structure deposition date
2013-03-22
Thiol separation (Å)
8
Half-sphere exposure sum ?
81
Minimum pKa ?
13
% buried
100
Peptide accession
P42345
Residue number A
2539
Residue number B
2541
Peptide name
Serine/threonine-protein kinase mTOR

Ligandability

Cysteine 2539 of Serine/threonine-protein kinase mTOR

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 Serine/threonine-protein kinase mTOR

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 Serine/threonine-protein kinase mTOR between cysteines 626 and 674. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
7pe9
Structure name
cryo-em structure of deptor bound to human mtor complex 2, dept-bound subset local refinement
Structure deposition date
2021-08-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
72
Minimum pKa ?
11
% buried
72
Peptide accession
P42345
Residue number A
626
Residue number B
674
Peptide name
Serine/threonine-protein kinase mTOR

Ligandability

Cysteine 626 of Serine/threonine-protein kinase mTOR

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 674 of Serine/threonine-protein kinase mTOR

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 Serine/threonine-protein kinase mTOR between cysteines 2541 and 2546. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
4jt5
Structure name
mtordeltan-mlst8-pp242 complex
Structure deposition date
2013-03-22
Thiol separation (Å)
10
Half-sphere exposure sum ?
73
Minimum pKa ?
12
% buried
94
Peptide accession
P42345
Residue number A
2541
Residue number B
2546
Peptide name
Serine/threonine-protein kinase mTOR

Ligandability

Cysteine 2541 of Serine/threonine-protein kinase mTOR

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 2546 of Serine/threonine-protein kinase mTOR

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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