ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Intramolecular
Cysteine 191 and cysteine 504
Cysteine 161 and cysteine 422
Cysteine 161 and cysteine 423
Cysteine 152 and cysteine 535
Cysteine 422 and cysteine 423
Cysteine 202 and cysteine 504
Cysteine 277 and cysteine 403
Cysteine 403 and cysteine 446
Cysteine 277 and cysteine 386
Cysteine 428 and cysteine 446
Cysteine 423 and cysteine 446
A redox-regulated disulphide may form within Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 between cysteines 191 and 504.

Details

Redox score ?
76
PDB code
4n48
Structure name
cap-specific mrna (nucleoside-2'-o-)-methyltransferase 1 protein in complex with capped rna fragment
Structure deposition date
2013-10-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
72
Minimum pKa ?
8
% buried
70
Peptide accession
Q8N1G2
Residue number A
191
Residue number B
504
Peptide name
Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Ligandability

Cysteine 191 of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Cysteine 504 of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

A redox-regulated disulphide may form within Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 between cysteines 161 and 422.

Details

Redox score ?
75
PDB code
4n48
Structure name
cap-specific mrna (nucleoside-2'-o-)-methyltransferase 1 protein in complex with capped rna fragment
Structure deposition date
2013-10-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
63
Minimum pKa ?
6
% buried
74
Peptide accession
Q8N1G2
Residue number A
161
Residue number B
422
Peptide name
Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Ligandability

Cysteine 161 of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Cysteine 422 of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

A redox-regulated disulphide may form within Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 between cysteines 161 and 423. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
4n48
Structure name
cap-specific mrna (nucleoside-2'-o-)-methyltransferase 1 protein in complex with capped rna fragment
Structure deposition date
2013-10-08
Thiol separation (Å)
9
Half-sphere exposure sum ?
68
Minimum pKa ?
6
% buried
76
Peptide accession
Q8N1G2
Residue number A
161
Residue number B
423
Peptide name
Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Ligandability

Cysteine 161 of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Cysteine 423 of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

A redox-regulated disulphide may form within Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 between cysteines 152 and 535. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
4n48
Structure name
cap-specific mrna (nucleoside-2'-o-)-methyltransferase 1 protein in complex with capped rna fragment
Structure deposition date
2013-10-08
Thiol separation (Å)
9
Half-sphere exposure sum ?
56
Minimum pKa ?
9
% buried
32
Peptide accession
Q8N1G2
Residue number A
152
Residue number B
535
Peptide name
Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Ligandability

Cysteine 152 of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Cysteine 535 of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

A redox-regulated disulphide may form within Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 between cysteines 422 and 423. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
4n4a
Structure name
cystal structure of cap-specific mrna (nucleoside-2'-o-)- methyltransferase 1
Structure deposition date
2013-10-08
Thiol separation (Å)
6
Half-sphere exposure sum ?
80
Minimum pKa ?
12
% buried
94
Peptide accession
Q8N1G2
Residue number A
422
Residue number B
423
Peptide name
Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Ligandability

Cysteine 422 of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Cysteine 423 of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

A redox-regulated disulphide may form within Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 between cysteines 202 and 504. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
4n49
Structure name
cap-specific mrna (nucleoside-2'-o-)-methyltransferase 1 protein in complex with m7gpppg and sam
Structure deposition date
2013-10-08
Thiol separation (Å)
9
Half-sphere exposure sum ?
69
Minimum pKa ?
10
% buried
60
Peptide accession
Q8N1G2
Residue number A
202
Residue number B
504
Peptide name
Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Ligandability

Cysteine 202 of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Cysteine 504 of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

A redox-regulated disulphide may form within Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 between cysteines 277 and 403. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
4n49
Structure name
cap-specific mrna (nucleoside-2'-o-)-methyltransferase 1 protein in complex with m7gpppg and sam
Structure deposition date
2013-10-08
Thiol separation (Å)
7
Half-sphere exposure sum ?
86
Minimum pKa ?
13
% buried
100
Peptide accession
Q8N1G2
Residue number A
277
Residue number B
403
Peptide name
Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Ligandability

Cysteine 277 of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Cysteine 403 of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

A redox-regulated disulphide may form within Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 between cysteines 403 and 446. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
4n49
Structure name
cap-specific mrna (nucleoside-2'-o-)-methyltransferase 1 protein in complex with m7gpppg and sam
Structure deposition date
2013-10-08
Thiol separation (Å)
8
Half-sphere exposure sum ?
87
Minimum pKa ?
13
% buried
100
Peptide accession
Q8N1G2
Residue number A
403
Residue number B
446
Peptide name
Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Ligandability

Cysteine 403 of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Cysteine 446 of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

A redox-regulated disulphide may form within Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 between cysteines 277 and 386. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
4n48
Structure name
cap-specific mrna (nucleoside-2'-o-)-methyltransferase 1 protein in complex with capped rna fragment
Structure deposition date
2013-10-08
Thiol separation (Å)
8
Half-sphere exposure sum ?
84
Minimum pKa ?
13
% buried
100
Peptide accession
Q8N1G2
Residue number A
277
Residue number B
386
Peptide name
Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Ligandability

Cysteine 277 of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Cysteine 386 of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

A redox-regulated disulphide may form within Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 between cysteines 428 and 446. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
4n49
Structure name
cap-specific mrna (nucleoside-2'-o-)-methyltransferase 1 protein in complex with m7gpppg and sam
Structure deposition date
2013-10-08
Thiol separation (Å)
9
Half-sphere exposure sum ?
76
Minimum pKa ?
13
% buried
96
Peptide accession
Q8N1G2
Residue number A
428
Residue number B
446
Peptide name
Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Ligandability

Cysteine 428 of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Cysteine 446 of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

A redox-regulated disulphide may form within Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 between cysteines 423 and 446. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
4n4a
Structure name
cystal structure of cap-specific mrna (nucleoside-2'-o-)- methyltransferase 1
Structure deposition date
2013-10-08
Thiol separation (Å)
9
Half-sphere exposure sum ?
85
Minimum pKa ?
12
% buried
99
Peptide accession
Q8N1G2
Residue number A
423
Residue number B
446
Peptide name
Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Ligandability

Cysteine 423 of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

Cysteine 446 of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

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