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BMRB Entry 36021

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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/BMR36021
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Title: Solution structure of heterodimeric coiled-coil domain of Drosophila GABAB receptor 1 and 3

Deposition date: 2016-09-12 Original release date: 2017-09-11

Authors: Liu, X.; Zhang, S.; Zhang, C.; Liu, J.

Citation: Liu, X.; Zhang, S.; Zhang, C.; Liu, J.. "Solution structure of heterodimeric coiled-coil domain of Drosophila GABAB receptor 1 and 3"  . ., .-..

Assembly members:
entity_1, polymer, 53 residues, 6327.121 Da.
entity_2, polymer, 50 residues, 5954.819 Da.

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

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

Entity Sequences (FASTA):
entity_1: MDSAISKEDEERYQKLVTEN EQLQRLITQKEEKIRVLRQR LVERGDAKGTELN
entity_2: GPLGSRRFVVDDRRELQYRV EVQNRVYKKEIQALDAEIRK LERLLESGLT

Data sets:
Data typeCount
13C chemical shifts406
15N chemical shifts109
1H chemical shifts704

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 53 residues - 6327.121 Da.

1   METASPSERALAILESERLYSGLUASPGLU
2   GLUARGTYRGLNLYSLEUVALTHRGLUASN
3   GLUGLNLEUGLNARGLEUILETHRGLNLYS
4   GLUGLULYSILEARGVALLEUARGGLNARG
5   LEUVALGLUARGGLYASPALALYSGLYTHR
6   GLULEUASN

Entity 2, entity_2 50 residues - 5954.819 Da.

1   GLYPROLEUGLYSERARGARGPHEVALVAL
2   ASPASPARGARGGLULEUGLNTYRARGVAL
3   GLUVALGLNASNARGVALTYRLYSLYSGLU
4   ILEGLNALALEUASPALAGLUILEARGLYS
5   LEUGLUARGLEULEUGLUSERGLYLEUTHR

Samples:

sample_1: Molecule1, [U-99% 15N], 0.7 mM; Molecule2, [U-99% 15N], 0.7 mM; PBS 20 mM; sodium azide 0.02 mg/mL; sodium chloride 100 mM; H2O 90%; D2O, [U-2H], 10%

sample_2: Molecule1, [U-99% 13C; U-99% 15N], 0.7 mM; Molecule2, [U-99% 13C; U-99% 15N], 0.7 mM; PBS 20 mM; sodium azide 0.02 mg/mL; sodium chloride 100 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
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D C(CO)NHsample_2isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D HBHA(CO)NHsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1

Software:

ARIA v2.2, 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 v3.0, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

  • Agilent DD2 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts