BMRB

Biological Magnetic Resonance Data Bank


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BMRB Entry 34160

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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/BMR34160
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Title: Putative active dimeric state of GHR transmembrane domain   PubMed: 29571748

Deposition date: 2017-07-08 Original release date: 2018-04-06

Authors: Lesovoy, D.; Bocharov, E.; Bocharova, O.; Urban, A.; Arseniev, A.

Citation: Bocharov, E.; Lesovoy, D.; Bocharova, O.; Urban, A.; Pavlov, K.; Volynsky, P.; Efremov, R.; Arseniev, A.. "Structural basis of the signal transduction via transmembrane domain of the human growth hormone receptor."  Biochim. Biophys. Acta 1862, 1410-1420 (2018).

Assembly members:
entity_1, polymer, 43 residues, 5145.129 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli 'BL21-Gold(DE3)pLysS AG'

Entity Sequences (FASTA):
entity_1: GSMSQFTCEEDFYFPWLLII IFGIFGLTVMLFVFLFSKQQ RIK

Data sets:
Data typeCount
13C chemical shifts226
15N chemical shifts45
1H chemical shifts353

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_1, chain 11
2entity_1, chain 21

Entities:

Entity 1, entity_1, chain 1 43 residues - 5145.129 Da.

1   GLYSERMETSERGLNPHETHRCYSGLUGLU
2   ASPPHETYRPHEPROTRPLEULEUILEILE
3   ILEPHEGLYILEPHEGLYLEUTHRVALMET
4   LEUPHEVALPHELEUPHESERLYSGLNGLN
5   ARGILELYS

Samples:

sample_1: GHRtm-13C-15N, [U-99% 13C; U-99% 15N], 0.7 ± 0.1 mM; GHRtm 1.2 ± 0.2 mM; DPC, [U-99% 2H], 100 ± 2 mM; sodium azide 0.3 mM; TCEP 8 mM; citric acid 10 mM; Na2HPO4 20 mM

sample_2: GHRtm, [U-99% 15N], 0.8 ± 0.1 mM; DPC, [U-99% 2H], 50 ± 1 mM; sodium azide 0.3 mM; TCEP 8 mM; citric acid 10 mM; Na2HPO4 20 mM

sample_3: GHRtm, [U-99% 13C; U-99% 15N], 0.8 ± 0.1 mM; DPC, [U-99% 2H], 50 ± 1 mM; sodium azide 0.3 mM; TCEP 8 mM; citric acid 10 mM; Na2HPO4 20 mM

sample_conditions_1: ionic strength: 40 mM; pH: 5.0; pressure: 1 atm; temperature: 313 K

Experiments:

NameSampleSample stateSample conditions
15N,13C-F1-filtered/F3-edited-NOESYsample_1isotropicsample_conditions_1
15N,13C-F1-filtered/F3-edited-NOESYsample_3isotropicsample_conditions_1
3D 1H-13C(constant time) NOESY aliphaticsample_3isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_3isotropicsample_conditions_1
3D 1H-15N(TROSY) NOESYsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_3isotropicsample_conditions_1
3D 1H-15N(TROSY) HNHBsample_2isotropicsample_conditions_1
3D 1H-15N(TROSY) HNHAsample_2isotropicsample_conditions_1
3D 1H-15N(TROSY) HNCOsample_3isotropicsample_conditions_1
3D 1H-15N(TROSY) HNCAsample_3isotropicsample_conditions_1
3D 1H-15N(TROSY) HN(CA)COsample_3isotropicsample_conditions_1
3D 1H-15N(TROSY) HN(CO)CAsample_3isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N TROSYsample_1isotropicsample_conditions_1
2D 1H-INEPT-13CA-detectedsample_3isotropicsample_conditions_1
2D 1H-13C constant time HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C constant time HSQC aromaticsample_1isotropicsample_conditions_1
2D 1H-13C(TROSY) constant time HSQC aromaticsample_3isotropicsample_conditions_1
3D HCCH-TOCSYsample_3isotropicsample_conditions_1
3D 1H-13C constant time HCCH-TOCSYsample_3isotropicsample_conditions_1
2D 1H-15N CSA/dipole cross-correlationsample_2isotropicsample_conditions_1
2D 1H-15N(TROSY) CLEANEXsample_2isotropicsample_conditions_1

Software:

TOPSPIN v3.2, Bruker Biospin - collection

CARA v1.9, Keller and Wuthrich - chemical shift assignment

CYANA v3.97, Guntert, Mumenthaler and Wuthrich - structure calculation

Mathematica vLinux, Wolfram Research - data analysis

MddNMR v2.4, V. Orekhov, V. Jaravine, M. Mayzel, K. Kazimierczuk - processing

NMR spectrometers:

  • Bruker AvanceIII 800 MHz
  • Bruker AvanceIII 600 MHz

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