ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Nuclear receptor coactivator 1

Intramolecular
Cysteine 344 and cysteine 347
Cysteine 908 and cysteine 344
Cysteine 129 and cysteine 443
Cysteine 295 and cysteine 1368
A redox-regulated disulphide may form within Nuclear receptor coactivator 1 between cysteines 344 and 347. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
5nwm
Structure name
insight into the molecular recognition mechanism of the coactivator ncoa1 by stat6
Structure deposition date
2017-05-06
Thiol separation (Å)
10
Half-sphere exposure sum ?
60
Minimum pKa ?
10
% buried
59
Peptide accession
Q15788
Residue number A
344
Residue number B
347
Peptide name
Nuclear receptor coactivator 1

Ligandability

Cysteine 344 of Nuclear receptor coactivator 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 347 of Nuclear receptor coactivator 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 Nuclear receptor coactivator 1 between cysteines 908 and 344 (369 and 404 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
4j5x
Structure name
crystal structure of the sr12813-bound pxr/rxralpha lbd heterotetramer complex
Structure deposition date
2013-02-10
Thiol separation (Å)
9
Half-sphere exposure sum ?
80
Minimum pKa ?
13
% buried
81
Peptide accession
Q15788
Residue number A
908
Residue number B
344
Peptide name
Nuclear receptor coactivator 1

Ligandability

Cysteine 908 of Nuclear receptor coactivator 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 344 of Nuclear receptor coactivator 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 Nuclear receptor coactivator 1 between cysteines 129 and 443 (284 and 301 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
6bns
Structure name
structure of human pregnane x receptor ligand binding domain bound tethered with src co-activator peptide and compound 25a aka bicyclic hexafluoroisopropyl 2 alcohol sulfonamides
Structure deposition date
2017-11-17
Thiol separation (Å)
9
Half-sphere exposure sum ?
66
Minimum pKa ?
13
% buried
98
Peptide accession
Q15788
Residue number A
129
Residue number B
443
Peptide name
Nuclear receptor coactivator 1

Ligandability

Cysteine 129 of Nuclear receptor coactivator 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 443 of Nuclear receptor coactivator 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.

Uncertain whether structure cysteine 284 has been assigned to correct residue.
A redox-regulated disulphide may form within Nuclear receptor coactivator 1 between cysteines 295 and 1368 (320 and 393 respectively in this structure).

Details

Redox score ?
nan
PDB code
6u25
Structure name
crystal structure of rar-related orphan receptor c (nhis- rorgt(244- 487)-l6-src1(678-692)) in complex with a tricyclic inverse agonist
Structure deposition date
2019-08-19
Thiol separation (Å)
8
Half-sphere exposure sum ?
55
Minimum pKa ?
12
% buried
90
Peptide accession
Q15788
Residue number A
295
Residue number B
1368
Peptide name
Nuclear receptor coactivator 1

Ligandability

Cysteine 295 of Nuclear receptor coactivator 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 1368 of Nuclear receptor coactivator 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.

Uncertain whether structure cysteine 320 has been assigned to correct residue.
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