ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Polycomb complex protein BMI-1

Intramolecular
Cysteine 53 and cysteine 231 L
Cysteine 34 and cysteine 53 L
Cysteine 18 and cysteine 21
Cysteine 53 and cysteine 56 L
Cysteine 21 and cysteine 39
Cysteine 18 and cysteine 42
Cysteine 34 and cysteine 231
Cysteine 34 and cysteine 56 L
Cysteine 21 and cysteine 42
Cysteine 18 and cysteine 39
Cysteine 39 and cysteine 42
A redox-regulated disulphide may form within Polycomb complex protein BMI-1 between cysteines 53 and 231 (87 and 90 respectively in this structure).

Details

Redox score ?
90
PDB code
6wi8
Structure name
inhibitor compound-induced confrontational change in ring1b-bmi1 domain structure
Structure deposition date
2020-04-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
48
Minimum pKa ?
3
% buried
26
Peptide accession
P35226
Residue number A
53
Residue number B
231
Peptide name
Polycomb complex protein BMI-1

Ligandability

Cysteine 53 of Polycomb complex protein BMI-1

Cysteine 231 of Polycomb complex protein BMI-1

A redox-regulated disulphide may form within Polycomb complex protein BMI-1 between cysteines 34 and 53.

Details

Redox score ?
88
PDB code
2ckl
Structure name
ring1b-bmi1 e3 catalytic domain structure
Structure deposition date
2006-04-20
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
2
% buried
54
Peptide accession
P25916
Residue number A
34
Residue number B
53
Peptide name
Polycomb complex protein BMI-1

Ligandability

Cysteine 34 of Polycomb complex protein BMI-1

Cysteine 53 of Polycomb complex protein BMI-1

A redox-regulated disulphide may form within Polycomb complex protein BMI-1 between cysteines 18 and 21.

Details

Redox score ?
85
PDB code
4r8p
Structure name
crystal structure of the ring1b/bmi1/ubch5c prc1 ubiquitylation module bound to the nucleosome core particle
Structure deposition date
2014-09-02
Thiol separation (Å)
3
Half-sphere exposure sum ?
58
Minimum pKa ?
6
% buried
nan
Peptide accession
P35226
Residue number A
18
Residue number B
21
Peptide name
Polycomb complex protein BMI-1

Ligandability

Cysteine 18 of Polycomb complex protein BMI-1

Cysteine 21 of Polycomb complex protein BMI-1

A redox-regulated disulphide may form within Polycomb complex protein BMI-1 between cysteines 53 and 56.

Details

Redox score ?
83
PDB code
4r8p
Structure name
crystal structure of the ring1b/bmi1/ubch5c prc1 ubiquitylation module bound to the nucleosome core particle
Structure deposition date
2014-09-02
Thiol separation (Å)
4
Half-sphere exposure sum ?
47
Minimum pKa ?
7
% buried
24
Peptide accession
P35226
Residue number A
53
Residue number B
56
Peptide name
Polycomb complex protein BMI-1

Ligandability

Cysteine 53 of Polycomb complex protein BMI-1

Cysteine 56 of Polycomb complex protein BMI-1

A redox-regulated disulphide may form within Polycomb complex protein BMI-1 between cysteines 21 and 39.

Details

Redox score ?
81
PDB code
4r8p
Structure name
crystal structure of the ring1b/bmi1/ubch5c prc1 ubiquitylation module bound to the nucleosome core particle
Structure deposition date
2014-09-02
Thiol separation (Å)
4
Half-sphere exposure sum ?
65
Minimum pKa ?
6
% buried
63
Peptide accession
P35226
Residue number A
21
Residue number B
39
Peptide name
Polycomb complex protein BMI-1

Ligandability

Cysteine 21 of Polycomb complex protein BMI-1

Cysteine 39 of Polycomb complex protein BMI-1

A redox-regulated disulphide may form within Polycomb complex protein BMI-1 between cysteines 18 and 42.

Details

Redox score ?
80
PDB code
2ckl
Structure name
ring1b-bmi1 e3 catalytic domain structure
Structure deposition date
2006-04-20
Thiol separation (Å)
4
Half-sphere exposure sum ?
69
Minimum pKa ?
5
% buried
66
Peptide accession
P25916
Residue number A
18
Residue number B
42
Peptide name
Polycomb complex protein BMI-1

Ligandability

Cysteine 18 of Polycomb complex protein BMI-1

Cysteine 42 of Polycomb complex protein BMI-1

A redox-regulated disulphide may form within Polycomb complex protein BMI-1 between cysteines 34 and 231 (67 and 90 respectively in this structure).

Details

Redox score ?
77
PDB code
6wi7
Structure name
ring1b-bmi1 fusion in closed conformation
Structure deposition date
2020-04-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
47
Minimum pKa ?
8
% buried
27
Peptide accession
P35226
Residue number A
34
Residue number B
231
Peptide name
Polycomb complex protein BMI-1

Ligandability

Cysteine 34 of Polycomb complex protein BMI-1

Cysteine 231 of Polycomb complex protein BMI-1

A redox-regulated disulphide may form within Polycomb complex protein BMI-1 between cysteines 34 and 56 (1034 and 1056 respectively in this structure).

Details

Redox score ?
77
PDB code
6wi8
Structure name
inhibitor compound-induced confrontational change in ring1b-bmi1 domain structure
Structure deposition date
2020-04-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
45
Minimum pKa ?
9
% buried
32
Peptide accession
P35226
Residue number A
34
Residue number B
56
Peptide name
Polycomb complex protein BMI-1

Ligandability

Cysteine 34 of Polycomb complex protein BMI-1

Cysteine 56 of Polycomb complex protein BMI-1

A redox-regulated disulphide may form within Polycomb complex protein BMI-1 between cysteines 21 and 42.

Details

Redox score ?
63
PDB code
2ckl
Structure name
ring1b-bmi1 e3 catalytic domain structure
Structure deposition date
2006-04-20
Thiol separation (Å)
4
Half-sphere exposure sum ?
60
Minimum pKa ?
14
% buried
56
Peptide accession
P25916
Residue number A
21
Residue number B
42
Peptide name
Polycomb complex protein BMI-1

Ligandability

Cysteine 21 of Polycomb complex protein BMI-1

Cysteine 42 of Polycomb complex protein BMI-1

A redox-regulated disulphide may form within Polycomb complex protein BMI-1 between cysteines 18 and 39. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
4r8p
Structure name
crystal structure of the ring1b/bmi1/ubch5c prc1 ubiquitylation module bound to the nucleosome core particle
Structure deposition date
2014-09-02
Thiol separation (Å)
3
Half-sphere exposure sum ?
73
Minimum pKa ?
23
% buried
nan
Peptide accession
P35226
Residue number A
18
Residue number B
39
Peptide name
Polycomb complex protein BMI-1

Ligandability

Cysteine 18 of Polycomb complex protein BMI-1

Cysteine 39 of Polycomb complex protein BMI-1

A redox-regulated disulphide may form within Polycomb complex protein BMI-1 between cysteines 39 and 42. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
2ckl
Structure name
ring1b-bmi1 e3 catalytic domain structure
Structure deposition date
2006-04-20
Thiol separation (Å)
4
Half-sphere exposure sum ?
75
Minimum pKa ?
22
% buried
nan
Peptide accession
P25916
Residue number A
39
Residue number B
42
Peptide name
Polycomb complex protein BMI-1

Ligandability

Cysteine 39 of Polycomb complex protein BMI-1

Cysteine 42 of Polycomb complex protein BMI-1

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