ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Neuropeptide Y receptor type 2

Intermolecular
Cysteine 351 of Guanine nucleotide-binding protein G(i) subunit alpha-1 and cysteine 151
Intramolecular
Cysteine 123 and cysteine 203
Cysteine 58 and cysteine 316
Cysteine 58 and cysteine 272
Cysteine 58 and cysteine 1088
A redox-regulated disulphide may form between cysteine 351 of Guanine nucleotide-binding protein G(i) subunit alpha-1 and cysteine 151 of Neuropeptide Y receptor type 2.

Details

Redox score ?
71
PDB code
7x9b
Structure name
cryo-em structure of neuropeptide y y2 receptor in complex with npy and gi
Structure deposition date
2022-03-15
Thiol separation (Å)
4
Half-sphere exposure sum ?
70
Minimum pKa ?
9
% buried
86
Peptide A name
Guanine nucleotide-binding protein G(i) subunit alpha-1
Peptide B name
Neuropeptide Y receptor type 2
Peptide A accession
P63096
Peptide B accession
P49146
Peptide A residue number
351
Peptide B residue number
151

Ligandability

Cysteine 351 of Guanine nucleotide-binding protein G(i) subunit alpha-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 151 of Neuropeptide Y receptor type 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 Neuropeptide Y receptor type 2 between cysteines 123 and 203.

Details

Redox score ?
84
PDB code
7ddz
Structure name
the crystal structure of human neuropeptide y y2 receptor with jnj- 31020028
Structure deposition date
2020-10-30
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
P49146
Residue number A
123
Residue number B
203
Peptide name
Neuropeptide Y receptor type 2

Ligandability

Cysteine 123 of Neuropeptide Y receptor type 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 203 of Neuropeptide Y receptor type 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 Neuropeptide Y receptor type 2 between cysteines 58 and 316 (280 and 316 respectively in this structure).

Details

Redox score ?
60
PDB code
7ddz
Structure name
the crystal structure of human neuropeptide y y2 receptor with jnj- 31020028
Structure deposition date
2020-10-30
Thiol separation (Å)
6
Half-sphere exposure sum ?
59
Minimum pKa ?
11
% buried
52
Peptide accession
P49146
Residue number A
58
Residue number B
316
Peptide name
Neuropeptide Y receptor type 2

Ligandability

Cysteine 58 of Neuropeptide Y receptor type 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 316 of Neuropeptide Y receptor type 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 Neuropeptide Y receptor type 2 between cysteines 58 and 272 (1055 and 1100 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
27
PDB code
7ddz
Structure name
the crystal structure of human neuropeptide y y2 receptor with jnj- 31020028
Structure deposition date
2020-10-30
Thiol separation (Å)
10
Half-sphere exposure sum ?
88
Minimum pKa ?
12
% buried
86
Peptide accession
P49146
Residue number A
58
Residue number B
272
Peptide name
Neuropeptide Y receptor type 2

Ligandability

Cysteine 58 of Neuropeptide Y receptor type 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 272 of Neuropeptide Y receptor type 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.

Uncertain whether structure cysteine 1100 has been assigned to correct residue.
A redox-regulated disulphide may form within Neuropeptide Y receptor type 2 between cysteines 58 and 1088 (1055 and 1088 respectively in this structure).

Details

Redox score ?
nan
PDB code
7ddz
Structure name
the crystal structure of human neuropeptide y y2 receptor with jnj- 31020028
Structure deposition date
2020-10-30
Thiol separation (Å)
9
Half-sphere exposure sum ?
98
Minimum pKa ?
13
% buried
100
Peptide accession
P49146
Residue number A
58
Residue number B
1088
Peptide name
Neuropeptide Y receptor type 2

Ligandability

Cysteine 58 of Neuropeptide Y receptor type 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 1088 of Neuropeptide Y receptor type 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 1088 in protein B could not be asigned to a Uniprot residue.
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