ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

DNA-directed RNA polymerase subunit

Intermolecular
Cysteine 1428 and cysteine 1281 of DNA-directed RNA polymerase subunit beta
Intramolecular
Cysteine 111 and cysteine 154
Cysteine 154 and cysteine 184
Cysteine 74 and cysteine 81
Cysteine 114 and cysteine 154
Cysteine 111 and cysteine 184
Cysteine 114 and cysteine 184
Cysteine 71 and cysteine 74
Cysteine 111 and cysteine 114
Cysteine 109 and cysteine 148
Cysteine 71 and cysteine 81
A redox-regulated disulphide may form between cysteine 1428 of DNA-directed RNA polymerase subunit and cysteine 1281 of DNA-directed RNA polymerase subunit beta (1430 and 1155 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
27
PDB code
6exv
Structure name
structure of mammalian rna polymerase ii elongation complex inhibited by alpha-amanitin
Structure deposition date
2017-11-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
73
Minimum pKa ?
12
% buried
100
Peptide A name
DNA-directed RNA polymerase subunit
Peptide B name
DNA-directed RNA polymerase subunit beta
Peptide A accession
I3LJR4
Peptide B accession
I3LGP4
Peptide A residue number
1428
Peptide B residue number
1281

Ligandability

Cysteine 1428 of DNA-directed RNA polymerase subunit

Cysteine 1281 of DNA-directed RNA polymerase subunit beta

A redox-regulated disulphide may form within DNA-directed RNA polymerase subunit between cysteines 111 and 154.

Details

Redox score ?
80
PDB code
6exv
Structure name
structure of mammalian rna polymerase ii elongation complex inhibited by alpha-amanitin
Structure deposition date
2017-11-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
63
Minimum pKa ?
9
% buried
24
Peptide accession
I3LJR4
Residue number A
111
Residue number B
154
Peptide name
DNA-directed RNA polymerase subunit

Ligandability

Cysteine 111 of DNA-directed RNA polymerase subunit

Cysteine 154 of DNA-directed RNA polymerase subunit

A redox-regulated disulphide may form within DNA-directed RNA polymerase subunit between cysteines 154 and 184.

Details

Redox score ?
80
PDB code
6exv
Structure name
structure of mammalian rna polymerase ii elongation complex inhibited by alpha-amanitin
Structure deposition date
2017-11-09
Thiol separation (Å)
5
Half-sphere exposure sum ?
46
Minimum pKa ?
7
% buried
6
Peptide accession
I3LJR4
Residue number A
154
Residue number B
184
Peptide name
DNA-directed RNA polymerase subunit

Ligandability

Cysteine 154 of DNA-directed RNA polymerase subunit

Cysteine 184 of DNA-directed RNA polymerase subunit

A redox-regulated disulphide may form within DNA-directed RNA polymerase subunit between cysteines 74 and 81.

Details

Redox score ?
75
PDB code
6exv
Structure name
structure of mammalian rna polymerase ii elongation complex inhibited by alpha-amanitin
Structure deposition date
2017-11-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
65
Minimum pKa ?
10
% buried
68
Peptide accession
I3LJR4
Residue number A
74
Residue number B
81
Peptide name
DNA-directed RNA polymerase subunit

Ligandability

Cysteine 74 of DNA-directed RNA polymerase subunit

Cysteine 81 of DNA-directed RNA polymerase subunit

A redox-regulated disulphide may form within DNA-directed RNA polymerase subunit between cysteines 114 and 154.

Details

Redox score ?
74
PDB code
6exv
Structure name
structure of mammalian rna polymerase ii elongation complex inhibited by alpha-amanitin
Structure deposition date
2017-11-09
Thiol separation (Å)
5
Half-sphere exposure sum ?
56
Minimum pKa ?
9
% buried
12
Peptide accession
I3LJR4
Residue number A
114
Residue number B
154
Peptide name
DNA-directed RNA polymerase subunit

Ligandability

Cysteine 114 of DNA-directed RNA polymerase subunit

Cysteine 154 of DNA-directed RNA polymerase subunit

A redox-regulated disulphide may form within DNA-directed RNA polymerase subunit between cysteines 111 and 184.

Details

Redox score ?
72
PDB code
6exv
Structure name
structure of mammalian rna polymerase ii elongation complex inhibited by alpha-amanitin
Structure deposition date
2017-11-09
Thiol separation (Å)
5
Half-sphere exposure sum ?
55
Minimum pKa ?
7
% buried
19
Peptide accession
I3LJR4
Residue number A
111
Residue number B
184
Peptide name
DNA-directed RNA polymerase subunit

Ligandability

Cysteine 111 of DNA-directed RNA polymerase subunit

Cysteine 184 of DNA-directed RNA polymerase subunit

A redox-regulated disulphide may form within DNA-directed RNA polymerase subunit between cysteines 114 and 184.

Details

Redox score ?
72
PDB code
6exv
Structure name
structure of mammalian rna polymerase ii elongation complex inhibited by alpha-amanitin
Structure deposition date
2017-11-09
Thiol separation (Å)
6
Half-sphere exposure sum ?
48
Minimum pKa ?
7
% buried
6
Peptide accession
I3LJR4
Residue number A
114
Residue number B
184
Peptide name
DNA-directed RNA polymerase subunit

Ligandability

Cysteine 114 of DNA-directed RNA polymerase subunit

Cysteine 184 of DNA-directed RNA polymerase subunit

A redox-regulated disulphide may form within DNA-directed RNA polymerase subunit between cysteines 71 and 74.

Details

Redox score ?
71
PDB code
6exv
Structure name
structure of mammalian rna polymerase ii elongation complex inhibited by alpha-amanitin
Structure deposition date
2017-11-09
Thiol separation (Å)
5
Half-sphere exposure sum ?
60
Minimum pKa ?
10
% buried
nan
Peptide accession
I3LJR4
Residue number A
71
Residue number B
74
Peptide name
DNA-directed RNA polymerase subunit

Ligandability

Cysteine 71 of DNA-directed RNA polymerase subunit

Cysteine 74 of DNA-directed RNA polymerase subunit

A redox-regulated disulphide may form within DNA-directed RNA polymerase subunit between cysteines 111 and 114.

Details

Redox score ?
70
PDB code
6exv
Structure name
structure of mammalian rna polymerase ii elongation complex inhibited by alpha-amanitin
Structure deposition date
2017-11-09
Thiol separation (Å)
5
Half-sphere exposure sum ?
67
Minimum pKa ?
9
% buried
25
Peptide accession
I3LJR4
Residue number A
111
Residue number B
114
Peptide name
DNA-directed RNA polymerase subunit

Ligandability

Cysteine 111 of DNA-directed RNA polymerase subunit

Cysteine 114 of DNA-directed RNA polymerase subunit

A redox-regulated disulphide may form within DNA-directed RNA polymerase subunit between cysteines 109 and 148. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
60
PDB code
6exv
Structure name
structure of mammalian rna polymerase ii elongation complex inhibited by alpha-amanitin
Structure deposition date
2017-11-09
Thiol separation (Å)
5
Half-sphere exposure sum ?
71
Minimum pKa ?
11
% buried
78
Peptide accession
I3LJR4
Residue number A
109
Residue number B
148
Peptide name
DNA-directed RNA polymerase subunit

Ligandability

Cysteine 109 of DNA-directed RNA polymerase subunit

Cysteine 148 of DNA-directed RNA polymerase subunit

A redox-regulated disulphide may form within DNA-directed RNA polymerase subunit between cysteines 71 and 81. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
6exv
Structure name
structure of mammalian rna polymerase ii elongation complex inhibited by alpha-amanitin
Structure deposition date
2017-11-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
63
Minimum pKa ?
18
% buried
nan
Peptide accession
I3LJR4
Residue number A
71
Residue number B
81
Peptide name
DNA-directed RNA polymerase subunit

Ligandability

Cysteine 71 of DNA-directed RNA polymerase subunit

Cysteine 81 of DNA-directed RNA polymerase subunit

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