Melatonin receptor type 1B
Intramolecular
Cysteine 190 and cysteine 1041
Cysteine 190 and cysteine 1038
Cysteine 113 and cysteine 190
Cysteine 143 and cysteine 219
Cysteine 263 and cysteine 302
Cysteine 190 and cysteine 1008
Cysteine 1038 and cysteine 1041
Cysteine 1008 and cysteine 1038
6me8 A 1005 A 1041
A redox-regulated disulphide may form within Melatonin receptor type 1B between cysteines 190 and 1041 (1005 and 1041 respectively in this structure).
Details
Redox score ?
89
PDB code
6me8
Structure name
xfel crystal structure of human melatonin receptor mt2 (n86d) in complex with 2-phenylmelatonin
Structure deposition date
2018-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
43
Minimum pKa ?
6
% buried
0
Peptide accession
P49286
Residue number A
190
Residue number B
1041
Peptide name
Melatonin receptor type 1B
Ligandability
Cysteine 190 of Melatonin receptor type 1B
Cysteine 1041 of Melatonin receptor type 1B
Cysteine 1041 in protein B could not be asigned to a Uniprot residue.
6me9 A 1005 A 1038
A redox-regulated disulphide may form within Melatonin receptor type 1B between cysteines 190 and 1038 (1005 and 1038 respectively in this structure).
Details
Redox score ?
83
PDB code
6me9
Structure name
xfel crystal structure of human melatonin receptor mt2 in complex with ramelteon
Structure deposition date
2018-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
56
Minimum pKa ?
6
% buried
2
Peptide accession
P49286
Residue number A
190
Residue number B
1038
Peptide name
Melatonin receptor type 1B
Ligandability
Cysteine 190 of Melatonin receptor type 1B
Cysteine 1038 of Melatonin receptor type 1B
Cysteine 1038 in protein B could not be asigned to a Uniprot residue.
7vh0 A 113 A 190
A redox-regulated disulphide may form within Melatonin receptor type 1B between cysteines 113 and 190.
Details
Redox score ?
69
PDB code
7vh0
Structure name
mt2-remalteon-gi complex
Structure deposition date
2021-09-20
Thiol separation (Å)
5
Half-sphere exposure sum ?
64
Minimum pKa ?
10
% buried
50
Peptide accession
P49286
Residue number A
113
Residue number B
190
Peptide name
Melatonin receptor type 1B
Ligandability
Cysteine 113 of Melatonin receptor type 1B
Cysteine 190 of Melatonin receptor type 1B
6me7 A 143 A 219
A redox-regulated disulphide may form within Melatonin receptor type 1B between cysteines 143 and 219. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
42
PDB code
6me7
Structure name
xfel crystal structure of human melatonin receptor mt2 (h208a) in complex with 2-phenylmelatonin
Structure deposition date
2018-09-05
Thiol separation (Å)
8
Half-sphere exposure sum ?
65
Minimum pKa ?
11
% buried
44
Peptide accession
P49286
Residue number A
143
Residue number B
219
Peptide name
Melatonin receptor type 1B
Ligandability
Cysteine 143 of Melatonin receptor type 1B
Cysteine 219 of Melatonin receptor type 1B
6me9 B 263 B 302
A redox-regulated disulphide may form within Melatonin receptor type 1B between cysteines 263 and 302. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
38
PDB code
6me9
Structure name
xfel crystal structure of human melatonin receptor mt2 in complex with ramelteon
Structure deposition date
2018-09-05
Thiol separation (Å)
9
Half-sphere exposure sum ?
71
Minimum pKa ?
10
% buried
60
Peptide accession
P49286
Residue number A
263
Residue number B
302
Peptide name
Melatonin receptor type 1B
Ligandability
Cysteine 263 of Melatonin receptor type 1B
Cysteine 302 of Melatonin receptor type 1B
6me7 A 1005 A 1008
A redox-regulated disulphide may form within Melatonin receptor type 1B between cysteines 190 and 1008 (1005 and 1008 respectively in this structure).
Details
Redox score ?
nan
PDB code
6me7
Structure name
xfel crystal structure of human melatonin receptor mt2 (h208a) in complex with 2-phenylmelatonin
Structure deposition date
2018-09-05
Thiol separation (Å)
5
Half-sphere exposure sum ?
43
Minimum pKa ?
7
% buried
0
Peptide accession
P49286
Residue number A
190
Residue number B
1008
Peptide name
Melatonin receptor type 1B
Ligandability
Cysteine 190 of Melatonin receptor type 1B
Cysteine 1008 of Melatonin receptor type 1B
Cysteine 1008 in protein B could not be asigned to a Uniprot residue.
6me9 A 1038 A 1041
A redox-regulated disulphide may form within Melatonin receptor type 1B between cysteines 1038 and 1041.
Details
Redox score ?
nan
PDB code
6me9
Structure name
xfel crystal structure of human melatonin receptor mt2 in complex with ramelteon
Structure deposition date
2018-09-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
48
Minimum pKa ?
7
% buried
2
Peptide accession
P49286
Residue number A
1038
Residue number B
1041
Peptide name
Melatonin receptor type 1B
Ligandability
Cysteine 1038 of Melatonin receptor type 1B
Cysteine 1041 of Melatonin receptor type 1B
Cysteine 1038 in protein A could not be asigned to a Uniprot residue.
Cysteine 1041 in protein B could not be asigned to a Uniprot residue.
6me6 A 1008 A 1038
A redox-regulated disulphide may form within Melatonin receptor type 1B between cysteines 1008 and 1038.
Details
Redox score ?
nan
PDB code
6me6
Structure name
xfel crystal structure of human melatonin receptor mt2 in complex with 2-phenylmelatonin
Structure deposition date
2018-09-05
Thiol separation (Å)
3
Half-sphere exposure sum ?
48
Minimum pKa ?
7
% buried
3
Peptide accession
P49286
Residue number A
1008
Residue number B
1038
Peptide name
Melatonin receptor type 1B
Ligandability
Cysteine 1008 of Melatonin receptor type 1B
Cysteine 1038 of Melatonin receptor type 1B
Cysteine 1008 in protein A could not be asigned to a Uniprot residue.
Cysteine 1038 in protein B could not be asigned to a Uniprot residue.
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