BMRB Entry 16480

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16480
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Title:
NMR solution structure of double module LA45 of LDLR
Deposition date:
2009-09-07
Original release date:
2009-11-04
Authors:
Guttman, Miklos; Komives, Elizabeth
Citation:

Citation: Guttman, Miklos; Komives, Elizabeth. "Structure and dynamics of the forth and fifth ligand binding module pair from LDLR: more than just beads on a string"  .

Assembly members:

Assembly members:
double module LA45, polymer, 94 residues, 10169.073 Da.
CA, non-polymer, 40.078 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   Vector: pMMHB

Entity Sequences (FASTA):

Entity Sequences (FASTA):
double module LA45: GSPVLTCGPASFQCNSSTCI PQLWACDNDPDCEDGSDEWP QRCRGLYVFQGDSSPCSAFE FHCLSGECIHSSWRCDGGPD CKDKSDEENCAVAT

Data sets:
Data typeCount
13C chemical shifts352
15N chemical shifts92
1H chemical shifts553
heteronuclear NOE values69
T1 relaxation values72
T2 relaxation values71

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1double module LA451
2CALCIUM ION_12
3CALCIUM ION_22

Entities:

Entity 1, double module LA45 94 residues - 10169.073 Da.

1   GLYSERPROVALLEUTHRCYSGLYPROALA
2   SERPHEGLNCYSASNSERSERTHRCYSILE
3   PROGLNLEUTRPALACYSASPASNASPPRO
4   ASPCYSGLUASPGLYSERASPGLUTRPPRO
5   GLNARGCYSARGGLYLEUTYRVALPHEGLN
6   GLYASPSERSERPROCYSSERALAPHEGLU
7   PHEHISCYSLEUSERGLYGLUCYSILEHIS
8   SERSERTRPARGCYSASPGLYGLYPROASP
9   CYSLYSASPLYSSERASPGLUGLUASNCYS
10   ALAVALALATHR

Entity 2, CALCIUM ION_1 - Ca - 40.078 Da.

1   CA

Samples:

sample_1: entity_1, [U-99% 13C; U-99% 15N], 0.8 mM; HEPES, [U-99% 2H], 20 mM; sodium chloride 150 mM; sodium azide 3 mM; CALCIUM ION 10 mM; H2O 90%; D2O 10%

sample_2: entity_1, [U-99% 13C; U-99% 15N], 0.8 mM; HEPES, [U-99% 2H], 20 mM; sodium chloride 150 mM; sodium azide 3 mM; CALCIUM ION 10 mM; D2O 100%

sample_3: entity_1, [U-99% 15N], 0.8 mM; HEPES, [U-99% 2H], 20 mM; sodium chloride 150 mM; sodium azide 3 mM; CALCIUM ION 10 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.15 M; pH: 7.45; pressure: 1 atm; temperature: 307 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
3D HCCH-COSYsample_2isotropicsample_conditions_1

Software:

AZARA v2.7, Boucher - processing

SPARKY v3.113, Goddard - chemical shift assignment, peak picking

ARIA v2.2, Linge, O'Donoghue and Nilges - data analysis, refinement

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

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

PDB

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