BMRB Entry 36064

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36064
MolProbity Validation Chart

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Title:
Solution structure of heterodimeric coiled-coil domain of Drosophila GABAB receptor 1 and 2
Deposition date:
2017-03-10
Original release date:
2018-03-12
Authors:
Liu, X.; Zhang, S.; Liu, J.; Zhang, C.
Citation:

Citation: Liu, X.; Zhang, S.. "Solution structure of heterodimeric coiled-coil domain of Drosophila GABAB receptor 1 and 2"  .

Assembly members:

Assembly members:
Metabotropic GABA-B receptor subtype 1, polymer, 44 residues, 5412.098 Da.
Metabotropic GABA-B receptor subtype 2, polymer, 45 residues, 5147.888 Da.

Natural source:

Natural source:   Common Name: Fruit fly   Taxonomy ID: 7227   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Drosophila melanogaster

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Metabotropic GABA-B receptor subtype 1: MDSKEDEERYQKLVTENEQL QRLITQKEEKIRVLRQRLVE RGDA
Metabotropic GABA-B receptor subtype 2: GPLGSSVSELEQRLRDVKNT NSRFRKALMEKENELQALIR KLGPE

Data sets:
Data typeCount
13C chemical shifts346
15N chemical shifts94
1H chemical shifts585

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 44 residues - 5412.098 Da.

1   METASPSERLYSGLUASPGLUGLUARGTYR
2   GLNLYSLEUVALTHRGLUASNGLUGLNLEU
3   GLNARGLEUILETHRGLNLYSGLUGLULYS
4   ILEARGVALLEUARGGLNARGLEUVALGLU
5   ARGGLYASPALA

Entity 2, entity_2 45 residues - 5147.888 Da.

1   GLYPROLEUGLYSERSERVALSERGLULEU
2   GLUGLNARGLEUARGASPVALLYSASNTHR
3   ASNSERARGPHEARGLYSALALEUMETGLU
4   LYSGLUASNGLULEUGLNALALEUILEARG
5   LYSLEUGLYPROGLU

Samples:

sample_1: NaCl 100 mM; NaN3 0.02 mg/mL; PBS 20 mM; coiled-coil domain of Drosophila GABAB receptor 1, [U-99% 15N], 0.8 mM; coiled-coil domain of Drosophila GABAB receptor 2, [U-99% 15N], 0.8 mM; H2O 90%; D2O, [U-2H], 10%

sample_2: NaCl 100 mM; NaN3 0.02 mg/mL; PBS 20 mM; coiled-coil domain of Drosophila GABAB receptor 1, [U-13C; U-15N], 0.7 mM; coiled-coil domain of Drosophila GABAB receptor 2, [U-13C; U-15N], 0.7 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 120 mM; pH: 7.0; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D HBHA(CO)NHsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
3D CCH-TOCSYsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1

Software:

ARIA v2.3, Linge, O'Donoghue and Nilges - structure calculation

CNS v1.2.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CcpNMR v2.3, CCPN - chemical shift assignment

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

  • Agilent DD2 600 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks