ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Polymerase

Intramolecular
Cysteine 125 and cysteine 171
Cysteine 200 and cysteine 211
Cysteine 189 and cysteine 211
Cysteine 189 and cysteine 200
A redox-regulated disulphide may form within Polymerase between cysteines 125 and 171.

Details

Redox score ?
70
PDB code
7sr6
Structure name
human endogenous retrovirus (herv-k) reverse transcriptase ternary complex with dsdna template primer and dntp
Structure deposition date
2021-11-08
Thiol separation (Å)
3
Half-sphere exposure sum ?
76
Minimum pKa ?
10
% buried
100
Peptide accession
V9H0F6
Residue number A
125
Residue number B
171
Peptide name
Polymerase

Ligandability

Cysteine 125 of Polymerase

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 171 of Polymerase

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 Polymerase between cysteines 200 and 211.

Details

Redox score ?
69
PDB code
7sr6
Structure name
human endogenous retrovirus (herv-k) reverse transcriptase ternary complex with dsdna template primer and dntp
Structure deposition date
2021-11-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
74
Minimum pKa ?
10
% buried
57
Peptide accession
V9H0F6
Residue number A
200
Residue number B
211
Peptide name
Polymerase

Ligandability

Cysteine 200 of Polymerase

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 211 of Polymerase

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 Polymerase between cysteines 189 and 211.

Details

Redox score ?
65
PDB code
7sr6
Structure name
human endogenous retrovirus (herv-k) reverse transcriptase ternary complex with dsdna template primer and dntp
Structure deposition date
2021-11-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
66
Minimum pKa ?
13
% buried
38
Peptide accession
V9H0F6
Residue number A
189
Residue number B
211
Peptide name
Polymerase

Ligandability

Cysteine 189 of Polymerase

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 211 of Polymerase

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 Polymerase between cysteines 189 and 200. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
7sr6
Structure name
human endogenous retrovirus (herv-k) reverse transcriptase ternary complex with dsdna template primer and dntp
Structure deposition date
2021-11-08
Thiol separation (Å)
7
Half-sphere exposure sum ?
78
Minimum pKa ?
12
% buried
nan
Peptide accession
V9H0F6
Residue number A
189
Residue number B
200
Peptide name
Polymerase

Ligandability

Cysteine 189 of Polymerase

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 200 of Polymerase

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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