BMRB Entry 30911

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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/BMR30911
MolProbity Validation Chart

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NMR-STAR v3 text file.
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Title:
AUGalpha - FAM150B - ALKL2 77-152
Deposition date:
2021-05-24
Original release date:
2021-11-19
Authors:
Rossi, P.; Sowaileh, M.; Reshetnyak, A.; Kalodimos, C.
Citation:

Citation: Reshetnyak, A.; Rossi, P.; Myasnikov, A.; Sowaileh, M.; Mohanty, J.; Nourse, A.; Miller, D.; Lax, I.; Schlessinger, J.; Kalodimos, C.. "Mechanism for the activation of the anaplastic lymphoma kinase receptor"  Nature 600, 153-157 (2021).
PubMed: 34819673

Assembly members:

Assembly members:
entity_1, polymer, 76 residues, 9007.611 Da.

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GPSPEQRVEIVPRDLRMKDK FLKHLTGPLYFSPKCSKHFH RLYHNTRDCTIPAYYKRCAR LLTRLAVSPVCMEDKQ

Data sets:
Data typeCount
13C chemical shifts271
15N chemical shifts65
1H chemical shifts513

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 76 residues - 9007.611 Da.

1   GLYPROSERPROGLUGLNARGVALGLUILE
2   VALPROARGASPLEUARGMETLYSASPLYS
3   PHELEULYSHISLEUTHRGLYPROLEUTYR
4   PHESERPROLYSCYSSERLYSHISPHEHIS
5   ARGLEUTYRHISASNTHRARGASPCYSTHR
6   ILEPROALATYRTYRLYSARGCYSALAARG
7   LEULEUTHRARGLEUALAVALSERPROVAL
8   CYSMETGLUASPLYSGLN

Samples:

sample_1: AUGalpha-FAM150B- residues 77-152, [U-100% 13C; U-100% 15N], 300 uM; sodium chloride 150 mM; sodium phosphate 20 mM; sodium azide 0.1%

sample_2: AUGalpha-FAM150B- residues 77-152, [U-15N; U-1H,13C_CH3_AILMTV], 300 uM; sodium chloride 150 mM; sodium phosphate 20 mM; sodium azide 0.1%

sample_conditions_1: ionic strength: 170 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D CCH_TOCSYsample_1isotropicsample_conditions_1
3D HNCACOsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D sofast_HallNH_NOESYsample_2isotropicsample_conditions_1
3D sofast_HallCmHm_NOESYsample_2isotropicsample_conditions_1
3D sofast_CCH_NOESYsample_2isotropicsample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CYANA v3.98, Guntert, Mumenthaler and Wuthrich - structure calculation

PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment

NMRFAM-SPARKY, Lee, Markley et. al. - peak picking

TopSpin v4.06, Bruker Biospin - collection

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

PSVS, Bhattacharya and Montelione - refinement

TALOS-N, Shen and Bax - geometry optimization

PdbStat, Tejero and Montelione - refinement

NMR spectrometers:

  • Bruker AVANCE NEO 700 MHz
  • Bruker AVANCE NEO 850 MHz

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