BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 11076

Title: NMR based model structure of mesoderm development (MESD) in solution.   PubMed: 21397185

Authors: Koehler, Christian; Lighthouse, Janet; Werther, Tobias; Andersen, Olav; Diehl, Annette; Schmieder, Peter; Holdener, Bernadette; Oschkinat, Hartmut

Citation: Kohler, Christian; Lighthouse, Janet; Werther, Tobias; Andersen, Olav; Diehl, Annette; Schmieder, Peter; Du, Jianguang; Holdener, Bernadette; Oschkinat, Hartmut. "The structure of MESD45-184 brings light into the mechanism of LDLR family folding."  Structure 19, 337-348 (2011).

Assembly members:
MESD polymer chain, polymer, 141 residues, Formula weight is not available

Natural source:   Common Name: house mouse   Taxonomy ID: 10090   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Mus musculus

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

Entity Sequences (FASTA):
MESD polymer chain: GDIRDYNDADMARLLEQWEK DDDIEEGDLPEHKRPSAPID FSKLDPGKPESILKMTKKGK TLMMFVTVSGNPTEKETEEI TSLWQGSLFNANYDVQRFIV GSDRAIFMLRDGSYAWEIKD FLVSQDRCAEVTLEGQMYPG K

Data sets:
Data typeCount
13C chemical shifts460
15N chemical shifts133
1H chemical shifts863
residual dipolar couplings36
T1 relaxation values94
T2 relaxation values94

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1MESD polymer chain1

Entities:

Entity 1, MESD polymer chain 141 residues - Formula weight is not available

1   GLYASPILEARGASPTYRASNASPALAASP
2   METALAARGLEULEUGLUGLNTRPGLULYS
3   ASPASPASPILEGLUGLUGLYASPLEUPRO
4   GLUHISLYSARGPROSERALAPROILEASP
5   PHESERLYSLEUASPPROGLYLYSPROGLU
6   SERILELEULYSMETTHRLYSLYSGLYLYS
7   THRLEUMETMETPHEVALTHRVALSERGLY
8   ASNPROTHRGLULYSGLUTHRGLUGLUILE
9   THRSERLEUTRPGLNGLYSERLEUPHEASN
10   ALAASNTYRASPVALGLNARGPHEILEVAL
11   GLYSERASPARGALAILEPHEMETLEUARG
12   ASPGLYSERTYRALATRPGLUILELYSASP
13   PHELEUVALSERGLNASPARGCYSALAGLU
14   VALTHRLEUGLUGLYGLNMETTYRPROGLY
15   LYS

Samples:

sample_1: MESD, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 0.02%; EDTA 0.1 mM; H2O 90%; D2O 10%

sample_2: MESD, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 0.02%; EDTA 0.1 mM; D2O 100%

sample_3: MESD, [U-100% 15N], 1 mM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 0.02%; EDTA 0.1 mM; H2O 90%; D2O 10%

sample_4: MESD, [U-100% 15N], 1 mM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 0.02%; EDTA 0.1 mM; D2O 100%

sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC No.1sample_3isotropicsample_conditions_1
2D 1H-15N HSQC No.2sample_4isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D CBCANNHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACOsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D HCCH-COSYsample_2isotropicsample_conditions_1
3D H(CCCO)NH-TOCSYsample_1isotropicsample_conditions_1
3D (H)CC(CO)NH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_3isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
2D 1H-15N HSQC coupledsample_3anisotropicsample_conditions_1
2D 1H-15N HSQC 15N_T1-editedsample_3isotropicsample_conditions_1
2D 1H-15N HSQC 15N_T2-editedsample_3isotropicsample_conditions_1

Software:

xwinnmr v3.5, Bruker Biospin - collection, processing

SPARKY v3.10, Goddard - chemical shift assignment, peak picking

TOPSPIN v2.0, Bruker Biospin - collection, processing

CYANA v2.0, Guntert, Mumenthaler and Wuthrich - structure solution

X-PLOR NIH v2.14, Schwieters, Kuszewski, Tjandra and Clore - structure solution

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

  • Bruker AV 900 MHz
  • Bruker DRX 600 MHz
  • Bruker DMX 750 MHz

Related Database Links:

Entrez Gene 67943
UNP Q9ERE7
BMRB 16213
PDB
DBJ BAB25865 BAC27617 BAC36471 BAC36476
GB AAG33621 AAH14742 AAH85892 EDL06865 EDL06866
REF NP_001008346 NP_075892 XP_001928898 XP_003511746 XP_004658300
SP Q5U2R7 Q9ERE7