BMRB: 34303

Receptor-bound Ghrelin conformation

Authors

Ferre, G., Damian, M., M'Kadmi, C., Saurel, O., Czaplicki, G., Demange, P., Marie, J., Fehrentz, J.A., Baneres, J.L., Milon, A.

Assembly

Appetite-regulating hormone

Entity

1. Appetite-regulating hormone, entity 1 (polymer, Thiol state: not present), 19 monomers, 2126.268 Da Detail

GSDFLSPEHQ RVQQRKESX

2. Appetite-regulating hormone, entity FKZ (non-polymer), 129.243 Da

Total weight

2255.511 Da

Max. entity weight

2126.268 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.7 %, Completeness: 90.5 %, Completeness (bb): 81.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	90.5 % (124 of 137)	98.3 % (115 of 117)	45.0 % (9 of 20)
Backbone	81.1 % (43 of 53)	94.4 % (34 of 36)	52.9 % (9 of 17)
Sidechain	96.4 % (81 of 84)	100.0 % (81 of 81)	0.0 % (0 of 3)
Aromatic	100.0 % (7 of 7)	100.0 % (7 of 7)
Methyl	100.0 % (4 of 4)	100.0 % (4 of 4)

1. entity 1

GSDFLSPEHQ RVQQRKESX

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 280 (±1) K, pH 6.5 (±0.1), Details 1.37 mM [U-15N]-Phe-Leu-Val Ghrelin 1-18, 2.05 uM [U-2H] Ghrelin receptor, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Ghrelin 1-18	[U-15N]-Phe-Leu-Val		1.37 (±0.1) mM
2	Ghrelin receptor	[U-2H]		2.05 (±0.5) uM
3	KCl	natural abundance		100 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 280 (±1) K, pH 6.5 (±0.1), Details 1.37 mM [U-15N]-Phe-Leu-Val Ghrelin 1-18, 2.05 uM [U-2H] Ghrelin receptor, 2.05 uM JMV5327, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
4	Ghrelin 1-18	[U-15N]-Phe-Leu-Val		1.37 (±0.1) mM
5	Ghrelin receptor	[U-2H]		2.05 (±0.5) uM
6	JMV5327	natural abundance		2.05 (±0.5) uM
7	KCl	natural abundance		100 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 280 (±1) K, pH 6.5 (±0.1), Details 1.15 mM [U-15N]-Phe-Leu-Val-Ser-Gln-Glu Ghrelin 1-18, 1.72 uM [U-2H] Ghrelin receptor, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
8	Ghrelin 1-18	[U-15N]-Phe-Leu-Val-Ser-Gln-Glu		1.15 (±0.1) mM
9	Ghrelin receptor	[U-2H]		1.72 (±0.5) uM
10	KCl	natural abundance		100 mM

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 280 (±1) K, pH 6.5 (±0.1), Details 1.15 mM [U-15N]-Phe-Leu-Val-Ser-Gln-Glu Ghrelin 1-18, 1.72 uM [U-2H] Ghrelin receptor, 1.72 uM JMV5327, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
11	Ghrelin 1-18	[U-15N]-Phe-Leu-Val-Ser-Gln-Glu		1.15 (±0.1) mM
12	Ghrelin receptor	[U-2H]		1.72 (±0.5) uM
13	JMV5327	natural abundance		1.72 (±0.5) uM
14	KCl	natural abundance		100 mM

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Protein Blocks Logo

Calculated from 10 models in PDB: 6H3E, Strand ID: A Detail

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Release date

2018-07-19

Citation

Structure and dynamics of G protein-coupled receptor-bound ghrelin reveal the critical role of the octanoyl chain
Ferre, G., Louet, M., Saurel, O., Delort, B., Czaplicki, G., M'Kadmi, C., Damian, M., Renault, P., Cantel, S., Gavara, L., Demange, P., Marie, J., Fehrentz, J.A., Floquet, N., Milon, A., Baneres, J.L.
Proc. Natl. Acad. Sci. U. S. A. (2019), 116, 17525-17530, PubMed 31416915 , DOI 10.1073/pnas.1905105116 , Abstract

Related entities 1. Appetite-regulating hormone, entity 1, : 3 : 10 entities Detail

Interaction partners 1. Appetite-regulating hormone, entity 1, : 1 interactors Detail

Experiments performed 8 experiments Detail

Chemical shift validation 4 contents Detail