ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Speckle targeted PIP5K1A-regulated poly(A) polymerase

Intermolecular
Cysteine 351 and cysteine 351
Cysteine 372 and cysteine 372
Intramolecular
Cysteine 633 and cysteine 768
Cysteine 566 and cysteine 567
A redox-regulated disulphide may form between two units of Speckle targeted PIP5K1A-regulated poly(A) polymerase at cysteines 351 and 351. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
5wu6
Structure name
crystal structure of apo human tut1, form iv
Structure deposition date
2016-12-16
Thiol separation (Å)
7
Half-sphere exposure sum ?
64
Minimum pKa ?
12
% buried
80
Peptide A name
Speckle targeted PIP5K1A-regulated poly(A) polymerase
Peptide B name
Speckle targeted PIP5K1A-regulated poly(A) polymerase
Peptide A accession
Q9H6E5
Peptide B accession
Q9H6E5
Peptide A residue number
351
Peptide B residue number
351

Ligandability

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 between two units of Speckle targeted PIP5K1A-regulated poly(A) polymerase at cysteines 372 and 372. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
5wu5
Structure name
crystal structure of apo human tut1, form iii
Structure deposition date
2016-12-16
Thiol separation (Å)
10
Half-sphere exposure sum ?
57
Minimum pKa ?
9
% buried
51
Peptide A name
Speckle targeted PIP5K1A-regulated poly(A) polymerase
Peptide B name
Speckle targeted PIP5K1A-regulated poly(A) polymerase
Peptide A accession
Q9H6E5
Peptide B accession
Q9H6E5
Peptide A residue number
372
Peptide B residue number
372

Ligandability

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 Speckle targeted PIP5K1A-regulated poly(A) polymerase between cysteines 633 and 768.

Details

Redox score ?
67
PDB code
5wu5
Structure name
crystal structure of apo human tut1, form iii
Structure deposition date
2016-12-16
Thiol separation (Å)
5
Half-sphere exposure sum ?
67
Minimum pKa ?
9
% buried
90
Peptide accession
Q9H6E5
Residue number A
633
Residue number B
768
Peptide name
Speckle targeted PIP5K1A-regulated poly(A) polymerase

Ligandability

Cysteine 633 of Speckle targeted PIP5K1A-regulated poly(A) 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 768 of Speckle targeted PIP5K1A-regulated poly(A) 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 Speckle targeted PIP5K1A-regulated poly(A) polymerase between cysteines 566 and 567. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
5wu6
Structure name
crystal structure of apo human tut1, form iv
Structure deposition date
2016-12-16
Thiol separation (Å)
7
Half-sphere exposure sum ?
62
Minimum pKa ?
10
% buried
61
Peptide accession
Q9H6E5
Residue number A
566
Residue number B
567
Peptide name
Speckle targeted PIP5K1A-regulated poly(A) polymerase

Ligandability

Cysteine 566 of Speckle targeted PIP5K1A-regulated poly(A) 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 567 of Speckle targeted PIP5K1A-regulated poly(A) 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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