ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Nuclear receptor subfamily 4 group A member 2

Intramolecular
Cysteine 263 and cysteine 266
Cysteine 299 and cysteine 315
Cysteine 305 and cysteine 315
Cysteine 266 and cysteine 280
Cysteine 315 and cysteine 318
Cysteine 266 and cysteine 283
Cysteine 299 and cysteine 305
Cysteine 299 and cysteine 318
Cysteine 263 and cysteine 280
Cysteine 305 and cysteine 318
More...
Cysteine 505 and cysteine 534
Cysteine 280 and cysteine 283
Cysteine 283 and cysteine 323
Cysteine 263 and cysteine 283
Cysteine 266 and cysteine 323
Cysteine 263 and cysteine 323
Cysteine 280 and cysteine 323
A redox-regulated disulphide may form within Nuclear receptor subfamily 4 group A member 2 between cysteines 263 and 266.

Details

Redox score ?
99
PDB code
7wnh
Structure name
crystal structure of nurr1 binding to nbre
Structure deposition date
2022-01-18
Thiol separation (Å)
3
Half-sphere exposure sum ?
nan
Minimum pKa ?
0
% buried
nan
Peptide accession
P43354
Residue number A
263
Residue number B
266
Peptide name
Nuclear receptor subfamily 4 group A member 2

Ligandability

Cysteine 263 of Nuclear receptor subfamily 4 group A member 2

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 266 of Nuclear receptor subfamily 4 group A member 2

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 2 between cysteines 299 and 315.

Details

Redox score ?
88
PDB code
7wnh
Structure name
crystal structure of nurr1 binding to nbre
Structure deposition date
2022-01-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
42
Minimum pKa ?
7
% buried
4
Peptide accession
P43354
Residue number A
299
Residue number B
315
Peptide name
Nuclear receptor subfamily 4 group A member 2

Ligandability

Cysteine 299 of Nuclear receptor subfamily 4 group A member 2

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 315 of Nuclear receptor subfamily 4 group A member 2

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 2 between cysteines 305 and 315.

Details

Redox score ?
88
PDB code
7wnh
Structure name
crystal structure of nurr1 binding to nbre
Structure deposition date
2022-01-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
49
Minimum pKa ?
6
% buried
2
Peptide accession
P43354
Residue number A
305
Residue number B
315
Peptide name
Nuclear receptor subfamily 4 group A member 2

Ligandability

Cysteine 305 of Nuclear receptor subfamily 4 group A member 2

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 315 of Nuclear receptor subfamily 4 group A member 2

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 2 between cysteines 266 and 280.

Details

Redox score ?
86
PDB code
7wnh
Structure name
crystal structure of nurr1 binding to nbre
Structure deposition date
2022-01-18
Thiol separation (Å)
3
Half-sphere exposure sum ?
60
Minimum pKa ?
5
% buried
62
Peptide accession
P43354
Residue number A
266
Residue number B
280
Peptide name
Nuclear receptor subfamily 4 group A member 2

Ligandability

Cysteine 266 of Nuclear receptor subfamily 4 group A member 2

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 280 of Nuclear receptor subfamily 4 group A member 2

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 2 between cysteines 315 and 318.

Details

Redox score ?
85
PDB code
7wnh
Structure name
crystal structure of nurr1 binding to nbre
Structure deposition date
2022-01-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
53
Minimum pKa ?
6
% buried
10
Peptide accession
P43354
Residue number A
315
Residue number B
318
Peptide name
Nuclear receptor subfamily 4 group A member 2

Ligandability

Cysteine 315 of Nuclear receptor subfamily 4 group A member 2

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 318 of Nuclear receptor subfamily 4 group A member 2

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 2 between cysteines 266 and 283.

Details

Redox score ?
83
PDB code
7wnh
Structure name
crystal structure of nurr1 binding to nbre
Structure deposition date
2022-01-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
69
Minimum pKa ?
5
% buried
68
Peptide accession
P43354
Residue number A
266
Residue number B
283
Peptide name
Nuclear receptor subfamily 4 group A member 2

Ligandability

Cysteine 266 of Nuclear receptor subfamily 4 group A member 2

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 2

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 2 between cysteines 299 and 305.

Details

Redox score ?
83
PDB code
7wnh
Structure name
crystal structure of nurr1 binding to nbre
Structure deposition date
2022-01-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
40
Minimum pKa ?
8
% buried
2
Peptide accession
P43354
Residue number A
299
Residue number B
305
Peptide name
Nuclear receptor subfamily 4 group A member 2

Ligandability

Cysteine 299 of Nuclear receptor subfamily 4 group A member 2

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 305 of Nuclear receptor subfamily 4 group A member 2

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 2 between cysteines 299 and 318.

Details

Redox score ?
81
PDB code
7wnh
Structure name
crystal structure of nurr1 binding to nbre
Structure deposition date
2022-01-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
47
Minimum pKa ?
8
% buried
10
Peptide accession
P43354
Residue number A
299
Residue number B
318
Peptide name
Nuclear receptor subfamily 4 group A member 2

Ligandability

Cysteine 299 of Nuclear receptor subfamily 4 group A member 2

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 318 of Nuclear receptor subfamily 4 group A member 2

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 2 between cysteines 263 and 280.

Details

Redox score ?
78
PDB code
7wnh
Structure name
crystal structure of nurr1 binding to nbre
Structure deposition date
2022-01-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
nan
Minimum pKa ?
9
% buried
nan
Peptide accession
P43354
Residue number A
263
Residue number B
280
Peptide name
Nuclear receptor subfamily 4 group A member 2

Ligandability

Cysteine 263 of Nuclear receptor subfamily 4 group A member 2

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 280 of Nuclear receptor subfamily 4 group A member 2

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 2 between cysteines 305 and 318.

Details

Redox score ?
76
PDB code
7wnh
Structure name
crystal structure of nurr1 binding to nbre
Structure deposition date
2022-01-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
51
Minimum pKa ?
10
% buried
10
Peptide accession
P43354
Residue number A
305
Residue number B
318
Peptide name
Nuclear receptor subfamily 4 group A member 2

Ligandability

Cysteine 305 of Nuclear receptor subfamily 4 group A member 2

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 318 of Nuclear receptor subfamily 4 group A member 2

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 2 between cysteines 505 and 534.

Details

Redox score ?
70
PDB code
7wnh
Structure name
crystal structure of nurr1 binding to nbre
Structure deposition date
2022-01-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
71
Minimum pKa ?
7
% buried
62
Peptide accession
P43354
Residue number A
505
Residue number B
534
Peptide name
Nuclear receptor subfamily 4 group A member 2

Ligandability

Cysteine 505 of Nuclear receptor subfamily 4 group A member 2

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 2

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 2 between cysteines 280 and 283.

Details

Redox score ?
65
PDB code
7wnh
Structure name
crystal structure of nurr1 binding to nbre
Structure deposition date
2022-01-18
Thiol separation (Å)
3
Half-sphere exposure sum ?
66
Minimum pKa ?
14
% buried
76
Peptide accession
P43354
Residue number A
280
Residue number B
283
Peptide name
Nuclear receptor subfamily 4 group A member 2

Ligandability

Cysteine 280 of Nuclear receptor subfamily 4 group A member 2

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 2

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 2 between cysteines 283 and 323. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
60
PDB code
7wnh
Structure name
crystal structure of nurr1 binding to nbre
Structure deposition date
2022-01-18
Thiol separation (Å)
5
Half-sphere exposure sum ?
78
Minimum pKa ?
11
% buried
90
Peptide accession
P43354
Residue number A
283
Residue number B
323
Peptide name
Nuclear receptor subfamily 4 group A member 2

Ligandability

Cysteine 283 of Nuclear receptor subfamily 4 group A member 2

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 323 of Nuclear receptor subfamily 4 group A member 2

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 2 between cysteines 263 and 283. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
7wnh
Structure name
crystal structure of nurr1 binding to nbre
Structure deposition date
2022-01-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
nan
Minimum pKa ?
18
% buried
nan
Peptide accession
P43354
Residue number A
263
Residue number B
283
Peptide name
Nuclear receptor subfamily 4 group A member 2

Ligandability

Cysteine 263 of Nuclear receptor subfamily 4 group A member 2

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 2

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 2 between cysteines 266 and 323. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
7wnh
Structure name
crystal structure of nurr1 binding to nbre
Structure deposition date
2022-01-18
Thiol separation (Å)
8
Half-sphere exposure sum ?
72
Minimum pKa ?
5
% buried
77
Peptide accession
P43354
Residue number A
266
Residue number B
323
Peptide name
Nuclear receptor subfamily 4 group A member 2

Ligandability

Cysteine 266 of Nuclear receptor subfamily 4 group A member 2

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 323 of Nuclear receptor subfamily 4 group A member 2

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 2 between cysteines 263 and 323. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
7wnh
Structure name
crystal structure of nurr1 binding to nbre
Structure deposition date
2022-01-18
Thiol separation (Å)
8
Half-sphere exposure sum ?
nan
Minimum pKa ?
11
% buried
nan
Peptide accession
P43354
Residue number A
263
Residue number B
323
Peptide name
Nuclear receptor subfamily 4 group A member 2

Ligandability

Cysteine 263 of Nuclear receptor subfamily 4 group A member 2

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 323 of Nuclear receptor subfamily 4 group A member 2

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 2 between cysteines 280 and 323. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
7wnh
Structure name
crystal structure of nurr1 binding to nbre
Structure deposition date
2022-01-18
Thiol separation (Å)
8
Half-sphere exposure sum ?
70
Minimum pKa ?
11
% buried
85
Peptide accession
P43354
Residue number A
280
Residue number B
323
Peptide name
Nuclear receptor subfamily 4 group A member 2

Ligandability

Cysteine 280 of Nuclear receptor subfamily 4 group A member 2

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 323 of Nuclear receptor subfamily 4 group A member 2

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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