ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

DNA-directed RNA polymerases I, II, and III subunit RPABC4

Intermolecular
Cysteine 93 of DNA-directed RNA polymerase I subunit RPA2 and cysteine 39
Cysteine 93 of DNA-directed RNA polymerase I subunit RPA2 and cysteine 36
Cysteine 93 of DNA-directed RNA polymerase I subunit RPA2 and cysteine 19
Cysteine 93 of DNA-directed RNA polymerase I subunit RPA2 and cysteine 22
Intramolecular
Cysteine 22 and cysteine 39
Cysteine 19 and cysteine 22
Cysteine 19 and cysteine 36
Cysteine 36 and cysteine 39
Cysteine 22 and cysteine 36
Cysteine 19 and cysteine 39
A redox-regulated disulphide may form between cysteine 93 of DNA-directed RNA polymerase I subunit RPA2 and cysteine 39 of DNA-directed RNA polymerases I, II, and III subunit RPABC4.

Details

Redox score ?
67
PDB code
7oba
Structure name
cryo-em structure of human rna polymerase i in complex with rrn3
Structure deposition date
2021-04-21
Thiol separation (Å)
6
Half-sphere exposure sum ?
48
Minimum pKa ?
8
% buried
36
Peptide A name
DNA-directed RNA polymerase I subunit RPA2
Peptide B name
DNA-directed RNA polymerases I, II, and III subunit RPABC4
Peptide A accession
Q9H9Y6
Peptide B accession
P53803
Peptide A residue number
93
Peptide B residue number
39

Ligandability

Cysteine 93 of DNA-directed RNA polymerase I subunit RPA2

Cysteine 39 of DNA-directed RNA polymerases I, II, and III subunit RPABC4

A redox-regulated disulphide may form between cysteine 93 of DNA-directed RNA polymerase I subunit RPA2 and cysteine 36 of DNA-directed RNA polymerases I, II, and III subunit RPABC4. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
7ob9
Structure name
cryo-em structure of human rna polymerase i in elongation state
Structure deposition date
2021-04-21
Thiol separation (Å)
10
Half-sphere exposure sum ?
62
Minimum pKa ?
6
% buried
34
Peptide A name
DNA-directed RNA polymerase I subunit RPA2
Peptide B name
DNA-directed RNA polymerases I, II, and III subunit RPABC4
Peptide A accession
Q9H9Y6
Peptide B accession
P53803
Peptide A residue number
93
Peptide B residue number
36

Ligandability

Cysteine 93 of DNA-directed RNA polymerase I subunit RPA2

Cysteine 36 of DNA-directed RNA polymerases I, II, and III subunit RPABC4

A redox-regulated disulphide may form between cysteine 93 of DNA-directed RNA polymerase I subunit RPA2 and cysteine 19 of DNA-directed RNA polymerases I, II, and III subunit RPABC4. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
7oba
Structure name
cryo-em structure of human rna polymerase i in complex with rrn3
Structure deposition date
2021-04-21
Thiol separation (Å)
9
Half-sphere exposure sum ?
57
Minimum pKa ?
9
% buried
51
Peptide A name
DNA-directed RNA polymerase I subunit RPA2
Peptide B name
DNA-directed RNA polymerases I, II, and III subunit RPABC4
Peptide A accession
Q9H9Y6
Peptide B accession
P53803
Peptide A residue number
93
Peptide B residue number
19

Ligandability

Cysteine 93 of DNA-directed RNA polymerase I subunit RPA2

Cysteine 19 of DNA-directed RNA polymerases I, II, and III subunit RPABC4

A redox-regulated disulphide may form between cysteine 93 of DNA-directed RNA polymerase I subunit RPA2 and cysteine 22 of DNA-directed RNA polymerases I, II, and III subunit RPABC4. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
45
PDB code
7obb
Structure name
cryo-em structure of human rna polymerase i open complex
Structure deposition date
2021-04-21
Thiol separation (Å)
10
Half-sphere exposure sum ?
50
Minimum pKa ?
8
% buried
24
Peptide A name
DNA-directed RNA polymerase I subunit RPA2
Peptide B name
DNA-directed RNA polymerases I, II, and III subunit RPABC4
Peptide A accession
Q9H9Y6
Peptide B accession
P53803
Peptide A residue number
93
Peptide B residue number
22

Ligandability

Cysteine 93 of DNA-directed RNA polymerase I subunit RPA2

Cysteine 22 of DNA-directed RNA polymerases I, II, and III subunit RPABC4

A redox-regulated disulphide may form within DNA-directed RNA polymerases I, II, and III subunit RPABC4 between cysteines 22 and 39.

Details

Redox score ?
86
PDB code
5flm
Structure name
structure of transcribing mammalian rna polymerase ii
Structure deposition date
2015-10-26
Thiol separation (Å)
3
Half-sphere exposure sum ?
42
Minimum pKa ?
6
% buried
10
Peptide accession
Q3ZBC0
Residue number A
22
Residue number B
39
Peptide name
DNA-directed RNA polymerases I, II, and III subunit RPABC4

Ligandability

Cysteine 22 of DNA-directed RNA polymerases I, II, and III subunit RPABC4

Cysteine 39 of DNA-directed RNA polymerases I, II, and III subunit RPABC4

A redox-regulated disulphide may form within DNA-directed RNA polymerases I, II, and III subunit RPABC4 between cysteines 19 and 22.

Details

Redox score ?
85
PDB code
5iy9
Structure name
human holo-pic in the initial transcribing state (no iis)
Structure deposition date
2016-03-24
Thiol separation (Å)
3
Half-sphere exposure sum ?
55
Minimum pKa ?
6
% buried
21
Peptide accession
P53803
Residue number A
19
Residue number B
22
Peptide name
DNA-directed RNA polymerases I, II, and III subunit RPABC4

Ligandability

Cysteine 19 of DNA-directed RNA polymerases I, II, and III subunit RPABC4

Cysteine 22 of DNA-directed RNA polymerases I, II, and III subunit RPABC4

A redox-regulated disulphide may form within DNA-directed RNA polymerases I, II, and III subunit RPABC4 between cysteines 19 and 36.

Details

Redox score ?
85
PDB code
7du2
Structure name
rna polymerase iii ec complex in post-translocation state
Structure deposition date
2021-01-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
58
Minimum pKa ?
6
% buried
32
Peptide accession
P53803
Residue number A
19
Residue number B
36
Peptide name
DNA-directed RNA polymerases I, II, and III subunit RPABC4

Ligandability

Cysteine 19 of DNA-directed RNA polymerases I, II, and III subunit RPABC4

Cysteine 36 of DNA-directed RNA polymerases I, II, and III subunit RPABC4

A redox-regulated disulphide may form within DNA-directed RNA polymerases I, II, and III subunit RPABC4 between cysteines 36 and 39.

Details

Redox score ?
83
PDB code
5oik
Structure name
structure of an rna polymerase ii-dsif transcription elongation complex
Structure deposition date
2017-07-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
47
Minimum pKa ?
8
% buried
18
Peptide accession
Q3ZBC0
Residue number A
36
Residue number B
39
Peptide name
DNA-directed RNA polymerases I, II, and III subunit RPABC4

Ligandability

Cysteine 36 of DNA-directed RNA polymerases I, II, and III subunit RPABC4

Cysteine 39 of DNA-directed RNA polymerases I, II, and III subunit RPABC4

A redox-regulated disulphide may form within DNA-directed RNA polymerases I, II, and III subunit RPABC4 between cysteines 22 and 36.

Details

Redox score ?
82
PDB code
5flm
Structure name
structure of transcribing mammalian rna polymerase ii
Structure deposition date
2015-10-26
Thiol separation (Å)
4
Half-sphere exposure sum ?
52
Minimum pKa ?
6
% buried
8
Peptide accession
Q3ZBC0
Residue number A
22
Residue number B
36
Peptide name
DNA-directed RNA polymerases I, II, and III subunit RPABC4

Ligandability

Cysteine 22 of DNA-directed RNA polymerases I, II, and III subunit RPABC4

Cysteine 36 of DNA-directed RNA polymerases I, II, and III subunit RPABC4

A redox-regulated disulphide may form within DNA-directed RNA polymerases I, II, and III subunit RPABC4 between cysteines 19 and 39. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
57
PDB code
7ae1
Structure name
cryo-em structure of human rna polymerase iii elongation complex 1
Structure deposition date
2020-09-17
Thiol separation (Å)
7
Half-sphere exposure sum ?
51
Minimum pKa ?
10
% buried
22
Peptide accession
P53803
Residue number A
19
Residue number B
39
Peptide name
DNA-directed RNA polymerases I, II, and III subunit RPABC4

Ligandability

Cysteine 19 of DNA-directed RNA polymerases I, II, and III subunit RPABC4

Cysteine 39 of DNA-directed RNA polymerases I, II, and III subunit RPABC4

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