ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Retinoblastoma-like protein 1

Intermolecular
Cysteine 846 and cysteine 959 of AT-rich interactive domain-containing protein 4A
Cysteine 846 and cysteine 180 of EP300-interacting inhibitor of differentiation 1
Intramolecular
Cysteine 504 and cysteine 505
Cysteine 823 and cysteine 831
Cysteine 823 and cysteine 846
A redox-regulated disulphide may form between cysteine 846 of Retinoblastoma-like protein 1 and cysteine 959 of AT-rich interactive domain-containing protein 4A. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
7smc
Structure name
p107 pocket domain complexed with arid4a peptide
Structure deposition date
2021-10-25
Thiol separation (Å)
9
Half-sphere exposure sum ?
72
Minimum pKa ?
11
% buried
68
Peptide A name
Retinoblastoma-like protein 1
Peptide B name
AT-rich interactive domain-containing protein 4A
Peptide A accession
P28749
Peptide B accession
P29374
Peptide A residue number
846
Peptide B residue number
959

Ligandability

Cysteine 846 of Retinoblastoma-like protein 1

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 959 of AT-rich interactive domain-containing protein 4A

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 cysteine 846 of Retinoblastoma-like protein 1 and cysteine 180 of EP300-interacting inhibitor of differentiation 1. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
7smd
Structure name
p107 pocket domain complexed with eid1 peptide
Structure deposition date
2021-10-25
Thiol separation (Å)
10
Half-sphere exposure sum ?
73
Minimum pKa ?
11
% buried
72
Peptide A name
Retinoblastoma-like protein 1
Peptide B name
EP300-interacting inhibitor of differentiation 1
Peptide A accession
P28749
Peptide B accession
Q9Y6B2
Peptide A residue number
846
Peptide B residue number
180

Ligandability

Cysteine 846 of Retinoblastoma-like protein 1

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 180 of EP300-interacting inhibitor of differentiation 1

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 Retinoblastoma-like protein 1 between cysteines 504 and 505. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
7smc
Structure name
p107 pocket domain complexed with arid4a peptide
Structure deposition date
2021-10-25
Thiol separation (Å)
6
Half-sphere exposure sum ?
89
Minimum pKa ?
13
% buried
100
Peptide accession
P28749
Residue number A
504
Residue number B
505
Peptide name
Retinoblastoma-like protein 1

Ligandability

Cysteine 504 of Retinoblastoma-like protein 1

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 505 of Retinoblastoma-like protein 1

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 Retinoblastoma-like protein 1 between cysteines 823 and 831. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
7smf
Structure name
p107 pocket domain complexed with mutated hdac1-3x peptide
Structure deposition date
2021-10-25
Thiol separation (Å)
8
Half-sphere exposure sum ?
64
Minimum pKa ?
11
% buried
82
Peptide accession
P28749
Residue number A
823
Residue number B
831
Peptide name
Retinoblastoma-like protein 1

Ligandability

Cysteine 823 of Retinoblastoma-like protein 1

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 831 of Retinoblastoma-like protein 1

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 Retinoblastoma-like protein 1 between cysteines 823 and 846. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
29
PDB code
7smf
Structure name
p107 pocket domain complexed with mutated hdac1-3x peptide
Structure deposition date
2021-10-25
Thiol separation (Å)
9
Half-sphere exposure sum ?
88
Minimum pKa ?
12
% buried
100
Peptide accession
P28749
Residue number A
823
Residue number B
846
Peptide name
Retinoblastoma-like protein 1

Ligandability

Cysteine 823 of Retinoblastoma-like protein 1

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 846 of Retinoblastoma-like protein 1

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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