ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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General transcription and DNA repair factor IIH helicase subunit XPD

Intermolecular
Cysteine 588 and cysteine 177 of General transcription factor IIH subunit 2
Intramolecular
Cysteine 489 and cysteine 491 L
Cysteine 155 and cysteine 190
Cysteine 134 and cysteine 155
Cysteine 116 and cysteine 190
Cysteine 116 and cysteine 134
Cysteine 134 and cysteine 190
Cysteine 243 and cysteine 437
Cysteine 116 and cysteine 155
A redox-regulated disulphide may form between cysteine 588 of General transcription and DNA repair factor IIH helicase subunit XPD and cysteine 177 of General transcription factor IIH subunit 2. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
5iy6
Structure name
human holo-pic in the closed state
Structure deposition date
2016-03-24
Thiol separation (Å)
9
Half-sphere exposure sum ?
61
Minimum pKa ?
10
% buried
39
Peptide A name
General transcription and DNA repair factor IIH helicase subunit XPD
Peptide B name
General transcription factor IIH subunit 2
Peptide A accession
P18074
Peptide B accession
Q13888
Peptide A residue number
588
Peptide B residue number
177

Ligandability

Cysteine 588 of General transcription and DNA repair factor IIH helicase subunit XPD

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 177 of General transcription factor IIH subunit 2

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 General transcription and DNA repair factor IIH helicase subunit XPD between cysteines 489 and 491.

Details

Redox score ?
70
PDB code
5iy7
Structure name
human holo-pic in the open state
Structure deposition date
2016-03-24
Thiol separation (Å)
4
Half-sphere exposure sum ?
75
Minimum pKa ?
7
% buried
94
Peptide accession
P18074
Residue number A
489
Residue number B
491
Peptide name
General transcription and DNA repair factor IIH helicase subunit XPD

Ligandability

Cysteine 489 of General transcription and DNA repair factor IIH helicase subunit XPD

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.

Cysteine 491 of General transcription and DNA repair factor IIH helicase subunit XPD

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 General transcription and DNA repair factor IIH helicase subunit XPD between cysteines 155 and 190. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
7ad8
Structure name
core tfiih-xpa-dna complex with modelled p62 subunit
Structure deposition date
2020-09-14
Thiol separation (Å)
7
Half-sphere exposure sum ?
66
Minimum pKa ?
11
% buried
86
Peptide accession
P18074
Residue number A
155
Residue number B
190
Peptide name
General transcription and DNA repair factor IIH helicase subunit XPD

Ligandability

Cysteine 155 of General transcription and DNA repair factor IIH helicase subunit XPD

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 190 of General transcription and DNA repair factor IIH helicase subunit XPD

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 General transcription and DNA repair factor IIH helicase subunit XPD between cysteines 134 and 155. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
7nvz
Structure name
rna polymerase ii pre-initiation complex with closed promoter dna in distal position
Structure deposition date
2021-03-16
Thiol separation (Å)
7
Half-sphere exposure sum ?
68
Minimum pKa ?
11
% buried
78
Peptide accession
P18074
Residue number A
134
Residue number B
155
Peptide name
General transcription and DNA repair factor IIH helicase subunit XPD

Ligandability

Cysteine 134 of General transcription and DNA repair factor IIH helicase subunit XPD

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 155 of General transcription and DNA repair factor IIH helicase subunit XPD

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 General transcription and DNA repair factor IIH helicase subunit XPD between cysteines 116 and 190. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
5of4
Structure name
the cryo-em structure of human tfiih
Structure deposition date
2017-07-10
Thiol separation (Å)
7
Half-sphere exposure sum ?
77
Minimum pKa ?
10
% buried
62
Peptide accession
P18074
Residue number A
116
Residue number B
190
Peptide name
General transcription and DNA repair factor IIH helicase subunit XPD

Ligandability

Cysteine 116 of General transcription and DNA repair factor IIH helicase subunit XPD

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 190 of General transcription and DNA repair factor IIH helicase subunit XPD

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 General transcription and DNA repair factor IIH helicase subunit XPD between cysteines 116 and 134. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
6ro4
Structure name
structure of the core tfiih-xpa-dna complex
Structure deposition date
2019-05-10
Thiol separation (Å)
7
Half-sphere exposure sum ?
77
Minimum pKa ?
10
% buried
80
Peptide accession
P18074
Residue number A
116
Residue number B
134
Peptide name
General transcription and DNA repair factor IIH helicase subunit XPD

Ligandability

Cysteine 116 of General transcription and DNA repair factor IIH helicase subunit XPD

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 134 of General transcription and DNA repair factor IIH helicase subunit XPD

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 General transcription and DNA repair factor IIH helicase subunit XPD between cysteines 134 and 190. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
6ro4
Structure name
structure of the core tfiih-xpa-dna complex
Structure deposition date
2019-05-10
Thiol separation (Å)
7
Half-sphere exposure sum ?
75
Minimum pKa ?
10
% buried
98
Peptide accession
P18074
Residue number A
134
Residue number B
190
Peptide name
General transcription and DNA repair factor IIH helicase subunit XPD

Ligandability

Cysteine 134 of General transcription and DNA repair factor IIH helicase subunit XPD

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 190 of General transcription and DNA repair factor IIH helicase subunit XPD

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 General transcription and DNA repair factor IIH helicase subunit XPD between cysteines 243 and 437. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
6o9m
Structure name
structure of the human apo tfiih
Structure deposition date
2019-03-14
Thiol separation (Å)
7
Half-sphere exposure sum ?
71
Minimum pKa ?
12
% buried
100
Peptide accession
P18074
Residue number A
243
Residue number B
437
Peptide name
General transcription and DNA repair factor IIH helicase subunit XPD

Ligandability

Cysteine 243 of General transcription and DNA repair factor IIH helicase subunit XPD

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 437 of General transcription and DNA repair factor IIH helicase subunit XPD

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 General transcription and DNA repair factor IIH helicase subunit XPD between cysteines 116 and 155. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
6ro4
Structure name
structure of the core tfiih-xpa-dna complex
Structure deposition date
2019-05-10
Thiol separation (Å)
8
Half-sphere exposure sum ?
69
Minimum pKa ?
11
% buried
70
Peptide accession
P18074
Residue number A
116
Residue number B
155
Peptide name
General transcription and DNA repair factor IIH helicase subunit XPD

Ligandability

Cysteine 116 of General transcription and DNA repair factor IIH helicase subunit XPD

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 155 of General transcription and DNA repair factor IIH helicase subunit XPD

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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