BMRB Entry 17993

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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/BMR17993
MolProbity Validation Chart

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Title:
A coiled-coil scaffold for GPCR loop investigations
Deposition date:
2011-10-11
Original release date:
2013-01-07
Authors:
Young, John
Citation:

Citation: Young, John; Clayton, Benjamin; Kikonyogo, Alexandra; Pham, Truc-Chi; Parrill, Abby. "Structural Characterization of an LPA1 Second Extracellular Loop Mimetic with a Self-Assembling Coiled-Coil Folding Constraint."  Int. J. Mol. Sci. 14, 2788-2807 (2013).
PubMed: 23434648

Assembly members:

Assembly members:
EC2, polymer, 80 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-32

Entity Sequences (FASTA):

Entity Sequences (FASTA):
EC2: MQALEKELAQNEWELQALEK ELAQLEKELQAWNCICDIEN CSNMAPLYSDQALKKKLAQL KWKLQALKKKNAQLKKKLQA

Data sets:
Data typeCount
13C chemical shifts348
15N chemical shifts78
1H chemical shifts487

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1EC21

Entities:

Entity 1, EC2 80 residues - Formula weight is not available

1   METGLNALALEUGLULYSGLULEUALAGLN
2   ASNGLUTRPGLULEUGLNALALEUGLULYS
3   GLULEUALAGLNLEUGLULYSGLULEUGLN
4   ALATRPASNCYSILECYSASPILEGLUASN
5   CYSSERASNMETALAPROLEUTYRSERASP
6   GLNALALEULYSLYSLYSLEUALAGLNLEU
7   LYSTRPLYSLEUGLNALALEULYSLYSLYS
8   ASNALAGLNLEULYSLYSLYSLEUGLNALA

Samples:

sample_1: EC2, [U-100% 13C; U-100% 15N], 1.0 mM; Tris 50 mM

sample_conditions_1: ionic strength: 50 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HCACOsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Zhengrong and Bax - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 500 MHz

Related Database Links:

PDB

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