ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase

Intramolecular
Cysteine 511 and cysteine 540 L
Cysteine 524 and cysteine 540 L
Cysteine 404 and cysteine 524
Cysteine 511 and cysteine 524
Cysteine 220 and cysteine 361
A redox-regulated disulphide may form within mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase between cysteines 511 and 540.

Details

Redox score ?
66
PDB code
6irv
Structure name
crystal structure of the human cap-specific adenosine methyltransferase
Structure deposition date
2018-11-14
Thiol separation (Å)
4
Half-sphere exposure sum ?
82
Minimum pKa ?
9
% buried
100
Peptide accession
Q9H4Z3
Residue number A
511
Residue number B
540
Peptide name
mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase

Ligandability

Cysteine 511 of mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase

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 540 of mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase

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 mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase between cysteines 524 and 540.

Details

Redox score ?
61
PDB code
6irw
Structure name
crystal structure of the human cap-specific adenosine methyltransferase bound to sah
Structure deposition date
2018-11-14
Thiol separation (Å)
5
Half-sphere exposure sum ?
81
Minimum pKa ?
9
% buried
100
Peptide accession
Q9H4Z3
Residue number A
524
Residue number B
540
Peptide name
mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase

Ligandability

Cysteine 524 of mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase

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 540 of mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase

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 mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase between cysteines 404 and 524. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
6irv
Structure name
crystal structure of the human cap-specific adenosine methyltransferase
Structure deposition date
2018-11-14
Thiol separation (Å)
8
Half-sphere exposure sum ?
77
Minimum pKa ?
9
% buried
100
Peptide accession
Q9H4Z3
Residue number A
404
Residue number B
524
Peptide name
mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase

Ligandability

Cysteine 404 of mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase

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 524 of mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase

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 mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase between cysteines 511 and 524. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
6irv
Structure name
crystal structure of the human cap-specific adenosine methyltransferase
Structure deposition date
2018-11-14
Thiol separation (Å)
6
Half-sphere exposure sum ?
85
Minimum pKa ?
14
% buried
100
Peptide accession
Q9H4Z3
Residue number A
511
Residue number B
524
Peptide name
mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase

Ligandability

Cysteine 511 of mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase

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 524 of mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase

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 mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase between cysteines 220 and 361. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
6irw
Structure name
crystal structure of the human cap-specific adenosine methyltransferase bound to sah
Structure deposition date
2018-11-14
Thiol separation (Å)
8
Half-sphere exposure sum ?
74
Minimum pKa ?
12
% buried
76
Peptide accession
Q9H4Z3
Residue number A
220
Residue number B
361
Peptide name
mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase

Ligandability

Cysteine 220 of mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase

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 361 of mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase

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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