BMRB Entry 18952

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18952
MolProbity Validation Chart

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Title:
Serine 16 phosphorylated phospholamban pentamer, Hybrid solution and solid-state NMR structural ensemble
Deposition date:
2013-01-15
Original release date:
2013-10-24
Authors:
Vostrikov, Vitaly; Verardi, Raffaello; Veglia, Gianluigi
Citation:

Citation: Vostrikov, Vitaly; Mote, Kaustubh; Verardi, Raffaello; Veglia, Gianluigi. "Structural Dynamics and Topology of Phosphorylated Phospholamban Homopentamer Reveal Its Role in the Regulation of Calcium Transport"  Structure 21, 2119-2130 (2013).
PubMed: 24207128

Assembly members:

Assembly members:
entity, polymer, 52 residues, 6179.515 Da.
PHOSPHOSERINE, non-polymer, 185.072 Da.

Natural source:

Natural source:   Common Name: rabbit   Taxonomy ID: 9986   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Oryctolagus cuniculus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pMAL-c2X

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: MEKVQYLTRSAIRRAXTIEM PQQARQNLQNLFINFCLILI CLLLICIIVMLL

Data sets:
Data typeCount
15N chemical shifts49
1H chemical shifts49

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Phospholamban_11
2Phospholamban_21
3Phospholamban_31
4Phospholamban_41
5Phospholamban_51
6PHOSPHOSERINE2

Entities:

Entity 1, Phospholamban_1 52 residues - 6179.515 Da.

1   METGLULYSVALGLNTYRLEUTHRARGSER
2   ALAILEARGARGALASEPTHRILEGLUMET
3   PROGLNGLNALAARGGLNASNLEUGLNASN
4   LEUPHEILEASNPHECYSLEUILELEUILE
5   CYSLEULEULEUILECYSILEILEVALMET
6   LEULEU

Entity 2, PHOSPHOSERINE - C3 H8 N O6 P - 185.072 Da.

1   SEP

Samples:

sample_1: Phospholamban, [U-100% 13C; U-100% 15N], 0.1 mM; DPC, [U-2H], 300 mM; sodium phosphate 20 mM; sodium chloride 120 mM; beta-mercaptoethanol 10 mM; sodium azide 0.02%; H2O 95%; D2O 5%

sample_2: Phospholamban, [U-13C; U-15N; U-2H], 0.15 mM; DPC 300 mM; sodium phosphate 20 mM; sodium chloride 120 mM; beta-mercaptoethanol 10 mM; sodium azide 0.02%; H2O 95%; D2O 5%

sample_3: Phospholamban, [U-100% 15N], 4 mg; DOPC 38 mg; DOPE 9 mg; D2O 100%

sample_4: Phospholamban, [U-100% 13C; U-100% 15N], 1 mg; DOPC 12 mg; DOPE 3 mg; MOPS 20 mM; sodium chloride 50 mM; sodium azide 0.02%; D2O 100%

sample_conditions_1: pH: 6; temperature: 273 K

sample_conditions_2: pH: 7; temperature: 273 K

sample_conditions_3: pH: 7; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
2D PISEMAsample_3anisotropicsample_conditions_3
2D DARRsample_4solidsample_conditions_2

Software:

NMRPipe v7.4, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY v3.114, Goddard - data analysis

MolProbity, David C. Richardson - data analysis

PSVS, Bhattacharya and Montelione - data analysis

X-PLOR NIH v2.33, Schwieters, Kuszewski, Tjandra and Clore - structure solution

TALOS, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 700 MHz
  • Bruker DMX 600 MHz

Related Database Links:

PDB
DBJ BAB22237 BAC30680 BAC34880 BAE25168
EMBL CAA50394 CAA68730
GB AAA31445 AAA41849 AAB21903 AAB23706 AAH61097
REF NP_001076090 NP_001135399 NP_001177823 NP_073198 NP_075618
SP P61014 P61015 P61016
AlphaFold P61014 P61015 P61016

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