ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Sister chromatid cohesion protein PDS5 homolog B

Intramolecular
Cysteine 943 and cysteine 961
Cysteine 571 and cysteine 579
Cysteine 946 and cysteine 961
Cysteine 943 and cysteine 946
Cysteine 571 and cysteine 573
Cysteine 82 and cysteine 83 L
Cysteine 946 and cysteine 1020
A redox-regulated disulphide may form within Sister chromatid cohesion protein PDS5 homolog B between cysteines 943 and 961.

Details

Redox score ?
74
PDB code
5hdt
Structure name
human cohesin regulator pds5b bound to a wapl peptide
Structure deposition date
2016-01-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
81
Minimum pKa ?
5
% buried
96
Peptide accession
Q9NTI5
Residue number A
943
Residue number B
961
Peptide name
Sister chromatid cohesion protein PDS5 homolog B

Ligandability

Cysteine 943 of Sister chromatid cohesion protein PDS5 homolog B

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 961 of Sister chromatid cohesion protein PDS5 homolog B

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 Sister chromatid cohesion protein PDS5 homolog B between cysteines 571 and 579.

Details

Redox score ?
64
PDB code
5hdt
Structure name
human cohesin regulator pds5b bound to a wapl peptide
Structure deposition date
2016-01-05
Thiol separation (Å)
5
Half-sphere exposure sum ?
63
Minimum pKa ?
10
% buried
42
Peptide accession
Q9NTI5
Residue number A
571
Residue number B
579
Peptide name
Sister chromatid cohesion protein PDS5 homolog B

Ligandability

Cysteine 571 of Sister chromatid cohesion protein PDS5 homolog B

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 579 of Sister chromatid cohesion protein PDS5 homolog B

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 Sister chromatid cohesion protein PDS5 homolog B between cysteines 946 and 961. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
5hdt
Structure name
human cohesin regulator pds5b bound to a wapl peptide
Structure deposition date
2016-01-05
Thiol separation (Å)
8
Half-sphere exposure sum ?
71
Minimum pKa ?
5
% buried
96
Peptide accession
Q9NTI5
Residue number A
946
Residue number B
961
Peptide name
Sister chromatid cohesion protein PDS5 homolog B

Ligandability

Cysteine 946 of Sister chromatid cohesion protein PDS5 homolog B

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 961 of Sister chromatid cohesion protein PDS5 homolog B

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 Sister chromatid cohesion protein PDS5 homolog B between cysteines 943 and 946. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
5hdt
Structure name
human cohesin regulator pds5b bound to a wapl peptide
Structure deposition date
2016-01-05
Thiol separation (Å)
6
Half-sphere exposure sum ?
89
Minimum pKa ?
12
% buried
100
Peptide accession
Q9NTI5
Residue number A
943
Residue number B
946
Peptide name
Sister chromatid cohesion protein PDS5 homolog B

Ligandability

Cysteine 943 of Sister chromatid cohesion protein PDS5 homolog B

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 946 of Sister chromatid cohesion protein PDS5 homolog B

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 Sister chromatid cohesion protein PDS5 homolog B between cysteines 571 and 573. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
5hdt
Structure name
human cohesin regulator pds5b bound to a wapl peptide
Structure deposition date
2016-01-05
Thiol separation (Å)
8
Half-sphere exposure sum ?
64
Minimum pKa ?
11
% buried
64
Peptide accession
Q9NTI5
Residue number A
571
Residue number B
573
Peptide name
Sister chromatid cohesion protein PDS5 homolog B

Ligandability

Cysteine 571 of Sister chromatid cohesion protein PDS5 homolog B

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 573 of Sister chromatid cohesion protein PDS5 homolog B

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 Sister chromatid cohesion protein PDS5 homolog B between cysteines 82 and 83. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
5hdt
Structure name
human cohesin regulator pds5b bound to a wapl peptide
Structure deposition date
2016-01-05
Thiol separation (Å)
7
Half-sphere exposure sum ?
78
Minimum pKa ?
12
% buried
99
Peptide accession
Q9NTI5
Residue number A
82
Residue number B
83
Peptide name
Sister chromatid cohesion protein PDS5 homolog B

Ligandability

Cysteine 82 of Sister chromatid cohesion protein PDS5 homolog B

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 83 of Sister chromatid cohesion protein PDS5 homolog B

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 Sister chromatid cohesion protein PDS5 homolog B between cysteines 946 and 1020. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
5hdt
Structure name
human cohesin regulator pds5b bound to a wapl peptide
Structure deposition date
2016-01-05
Thiol separation (Å)
9
Half-sphere exposure sum ?
78
Minimum pKa ?
12
% buried
96
Peptide accession
Q9NTI5
Residue number A
946
Residue number B
1020
Peptide name
Sister chromatid cohesion protein PDS5 homolog B

Ligandability

Cysteine 946 of Sister chromatid cohesion protein PDS5 homolog B

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 1020 of Sister chromatid cohesion protein PDS5 homolog B

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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