ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Nuclear receptor subfamily 4 group A member 1

Intramolecular
Cysteine 303 and cysteine 309
Cysteine 303 and cysteine 322
Cysteine 303 and cysteine 319
Cysteine 270 and cysteine 284
Cysteine 270 and cysteine 287
Cysteine 309 and cysteine 319
Cysteine 319 and cysteine 322
Cysteine 266 and cysteine 269
Cysteine 309 and cysteine 322
Cysteine 505 and cysteine 534
More...
Cysteine 266 and cysteine 283
Cysteine 284 and cysteine 287
Cysteine 286 and cysteine 326
Cysteine 267 and cysteine 287
Cysteine 266 and cysteine 326
Cysteine 269 and cysteine 326
Cysteine 284 and cysteine 327
A redox-regulated disulphide may form within Nuclear receptor subfamily 4 group A member 1 between cysteines 303 and 309.

Details

Redox score ?
89
PDB code
6lc1
Structure name
structural basis of nr4a1 bound to the human pituitary proopiomelanocortin gene promoter
Structure deposition date
2019-11-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
40
Minimum pKa ?
6
% buried
0
Peptide accession
P22736
Residue number A
303
Residue number B
309
Peptide name
Nuclear receptor subfamily 4 group A member 1

Ligandability

Cysteine 303 of Nuclear receptor subfamily 4 group A member 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 309 of Nuclear receptor subfamily 4 group A member 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 subfamily 4 group A member 1 between cysteines 303 and 322.

Details

Redox score ?
88
PDB code
6lc1
Structure name
structural basis of nr4a1 bound to the human pituitary proopiomelanocortin gene promoter
Structure deposition date
2019-11-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
48
Minimum pKa ?
6
% buried
0
Peptide accession
P22736
Residue number A
303
Residue number B
322
Peptide name
Nuclear receptor subfamily 4 group A member 1

Ligandability

Cysteine 303 of Nuclear receptor subfamily 4 group A member 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 322 of Nuclear receptor subfamily 4 group A member 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 subfamily 4 group A member 1 between cysteines 303 and 319.

Details

Redox score ?
88
PDB code
6lc1
Structure name
structural basis of nr4a1 bound to the human pituitary proopiomelanocortin gene promoter
Structure deposition date
2019-11-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
42
Minimum pKa ?
6
% buried
2
Peptide accession
P22736
Residue number A
303
Residue number B
319
Peptide name
Nuclear receptor subfamily 4 group A member 1

Ligandability

Cysteine 303 of Nuclear receptor subfamily 4 group A member 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 319 of Nuclear receptor subfamily 4 group A member 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 subfamily 4 group A member 1 between cysteines 270 and 284.

Details

Redox score ?
85
PDB code
6lc1
Structure name
structural basis of nr4a1 bound to the human pituitary proopiomelanocortin gene promoter
Structure deposition date
2019-11-16
Thiol separation (Å)
3
Half-sphere exposure sum ?
62
Minimum pKa ?
5
% buried
50
Peptide accession
P22736
Residue number A
270
Residue number B
284
Peptide name
Nuclear receptor subfamily 4 group A member 1

Ligandability

Cysteine 270 of Nuclear receptor subfamily 4 group A member 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 284 of Nuclear receptor subfamily 4 group A member 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 subfamily 4 group A member 1 between cysteines 270 and 287.

Details

Redox score ?
84
PDB code
6lc1
Structure name
structural basis of nr4a1 bound to the human pituitary proopiomelanocortin gene promoter
Structure deposition date
2019-11-16
Thiol separation (Å)
3
Half-sphere exposure sum ?
71
Minimum pKa ?
5
% buried
74
Peptide accession
P22736
Residue number A
270
Residue number B
287
Peptide name
Nuclear receptor subfamily 4 group A member 1

Ligandability

Cysteine 270 of Nuclear receptor subfamily 4 group A member 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 287 of Nuclear receptor subfamily 4 group A member 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 subfamily 4 group A member 1 between cysteines 309 and 319.

Details

Redox score ?
83
PDB code
6lc1
Structure name
structural basis of nr4a1 bound to the human pituitary proopiomelanocortin gene promoter
Structure deposition date
2019-11-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
47
Minimum pKa ?
8
% buried
2
Peptide accession
P22736
Residue number A
309
Residue number B
319
Peptide name
Nuclear receptor subfamily 4 group A member 1

Ligandability

Cysteine 309 of Nuclear receptor subfamily 4 group A member 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 319 of Nuclear receptor subfamily 4 group A member 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 subfamily 4 group A member 1 between cysteines 319 and 322.

Details

Redox score ?
82
PDB code
6lc1
Structure name
structural basis of nr4a1 bound to the human pituitary proopiomelanocortin gene promoter
Structure deposition date
2019-11-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
54
Minimum pKa ?
8
% buried
2
Peptide accession
P22736
Residue number A
319
Residue number B
322
Peptide name
Nuclear receptor subfamily 4 group A member 1

Ligandability

Cysteine 319 of Nuclear receptor subfamily 4 group A member 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 322 of Nuclear receptor subfamily 4 group A member 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 subfamily 4 group A member 1 between cysteines 266 and 269 (232 and 235 respectively in this structure).

Details

Redox score ?
81
PDB code
1cit
Structure name
dna-binding mechanism of the monomeric orphan nuclear receptor ngfi-b
Structure deposition date
1999-04-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
63
Minimum pKa ?
5
% buried
nan
Peptide accession
P22829
Residue number A
266
Residue number B
269
Peptide name
Nuclear receptor subfamily 4 group A member 1

Ligandability

Cysteine 266 of Nuclear receptor subfamily 4 group A member 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 269 of Nuclear receptor subfamily 4 group A member 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 subfamily 4 group A member 1 between cysteines 309 and 322.

Details

Redox score ?
79
PDB code
6lc1
Structure name
structural basis of nr4a1 bound to the human pituitary proopiomelanocortin gene promoter
Structure deposition date
2019-11-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
51
Minimum pKa ?
10
% buried
0
Peptide accession
P22736
Residue number A
309
Residue number B
322
Peptide name
Nuclear receptor subfamily 4 group A member 1

Ligandability

Cysteine 309 of Nuclear receptor subfamily 4 group A member 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 322 of Nuclear receptor subfamily 4 group A member 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 subfamily 4 group A member 1 between cysteines 505 and 534 (174 and 203 respectively in this structure).

Details

Redox score ?
67
PDB code
3v3q
Structure name
crystal structure of human nur77 ligand-binding domain in complex with ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate
Structure deposition date
2011-12-14
Thiol separation (Å)
4
Half-sphere exposure sum ?
72
Minimum pKa ?
10
% buried
54
Peptide accession
P22736
Residue number A
505
Residue number B
534
Peptide name
Nuclear receptor subfamily 4 group A member 1

Ligandability

Cysteine 505 of Nuclear receptor subfamily 4 group A member 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 534 of Nuclear receptor subfamily 4 group A member 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 subfamily 4 group A member 1 between cysteines 266 and 283 (232 and 249 respectively in this structure).

Details

Redox score ?
66
PDB code
1cit
Structure name
dna-binding mechanism of the monomeric orphan nuclear receptor ngfi-b
Structure deposition date
1999-04-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
56
Minimum pKa ?
14
% buried
nan
Peptide accession
P22829
Residue number A
266
Residue number B
283
Peptide name
Nuclear receptor subfamily 4 group A member 1

Ligandability

Cysteine 266 of Nuclear receptor subfamily 4 group A member 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 283 of Nuclear receptor subfamily 4 group A member 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 subfamily 4 group A member 1 between cysteines 284 and 287.

Details

Redox score ?
65
PDB code
6lc1
Structure name
structural basis of nr4a1 bound to the human pituitary proopiomelanocortin gene promoter
Structure deposition date
2019-11-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
69
Minimum pKa ?
13
% buried
76
Peptide accession
P22736
Residue number A
284
Residue number B
287
Peptide name
Nuclear receptor subfamily 4 group A member 1

Ligandability

Cysteine 284 of Nuclear receptor subfamily 4 group A member 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 287 of Nuclear receptor subfamily 4 group A member 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 subfamily 4 group A member 1 between cysteines 286 and 326 (252 and 292 respectively in this structure).

Details

Redox score ?
61
PDB code
1cit
Structure name
dna-binding mechanism of the monomeric orphan nuclear receptor ngfi-b
Structure deposition date
1999-04-05
Thiol separation (Å)
5
Half-sphere exposure sum ?
78
Minimum pKa ?
12
% buried
89
Peptide accession
P22829
Residue number A
286
Residue number B
326
Peptide name
Nuclear receptor subfamily 4 group A member 1

Ligandability

Cysteine 286 of Nuclear receptor subfamily 4 group A member 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 326 of Nuclear receptor subfamily 4 group A member 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 subfamily 4 group A member 1 between cysteines 267 and 287. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
6lc1
Structure name
structural basis of nr4a1 bound to the human pituitary proopiomelanocortin gene promoter
Structure deposition date
2019-11-16
Thiol separation (Å)
4
Half-sphere exposure sum ?
64
Minimum pKa ?
18
% buried
nan
Peptide accession
P22736
Residue number A
267
Residue number B
287
Peptide name
Nuclear receptor subfamily 4 group A member 1

Ligandability

Cysteine 267 of Nuclear receptor subfamily 4 group A member 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 287 of Nuclear receptor subfamily 4 group A member 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 subfamily 4 group A member 1 between cysteines 266 and 326 (232 and 292 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
1cit
Structure name
dna-binding mechanism of the monomeric orphan nuclear receptor ngfi-b
Structure deposition date
1999-04-05
Thiol separation (Å)
8
Half-sphere exposure sum ?
65
Minimum pKa ?
12
% buried
nan
Peptide accession
P22829
Residue number A
266
Residue number B
326
Peptide name
Nuclear receptor subfamily 4 group A member 1

Ligandability

Cysteine 266 of Nuclear receptor subfamily 4 group A member 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 326 of Nuclear receptor subfamily 4 group A member 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 subfamily 4 group A member 1 between cysteines 269 and 326 (235 and 292 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
1cit
Structure name
dna-binding mechanism of the monomeric orphan nuclear receptor ngfi-b
Structure deposition date
1999-04-05
Thiol separation (Å)
9
Half-sphere exposure sum ?
72
Minimum pKa ?
5
% buried
70
Peptide accession
P22829
Residue number A
269
Residue number B
326
Peptide name
Nuclear receptor subfamily 4 group A member 1

Ligandability

Cysteine 269 of Nuclear receptor subfamily 4 group A member 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 326 of Nuclear receptor subfamily 4 group A member 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 subfamily 4 group A member 1 between cysteines 284 and 327. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
6lc1
Structure name
structural basis of nr4a1 bound to the human pituitary proopiomelanocortin gene promoter
Structure deposition date
2019-11-16
Thiol separation (Å)
9
Half-sphere exposure sum ?
65
Minimum pKa ?
11
% buried
80
Peptide accession
P22736
Residue number A
284
Residue number B
327
Peptide name
Nuclear receptor subfamily 4 group A member 1

Ligandability

Cysteine 284 of Nuclear receptor subfamily 4 group A member 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 327 of Nuclear receptor subfamily 4 group A member 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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