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 30523

Title: Solution structure of the large extracellular loop of FtsX in Streptococcus pneumoniae   PubMed: 30696736

Authors: Edmonds, K.; Fu, Y.; Wu, H.; Rued, B.; Bruce, K.; Winkler, M.; Giedroc, D.

Citation: Rued, B.; Alcorlo, M.; Edmonds, K.; Martinez-Caballero, S.; Straume, D.; Fu, Y.; Bruce, K.; Wu, H.; Havarstein, L.; Hermoso, J.; Winkler, M.; Giedroc, D.. "Structure of the Large Extracellular Loop of FtsX and Its Interaction with the Essential Peptidoglycan Hydrolase PcsB in Streptococcus pneumoniae"  MBio 10, e02622-e02622 (2019).

Assembly members:
entity_1, polymer, 126 residues, 14013.403 Da.

Natural source:   Common Name: Streptococcus pneumoniae   Taxonomy ID: 373153   Superkingdom: Bacteria   Kingdom: Streptococcus   Genus/species: pneumoniae not available

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

Entity Sequences (FASTA):
entity_1: GAMATAKLATDIENNVRVVV YIRKDVEDNSQTIEKEGQTV TNNDYHKVYDSLKNMSTVKS VTFSSKEEQYEKLTEIMGDN WKIFEGDANPLYDAYIVEAN APNDVKTIAEDAKKIEGVSE VQDGGA

Data sets:
Data typeCount
13C chemical shifts541
15N chemical shifts134
1H chemical shifts847
T1 relaxation values115
T2 relaxation values242
heteronuclear NOE values121
residual dipolar couplings121

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 126 residues - 14013.403 Da.

1   GLYALAMETALATHRALALYSLEUALATHR
2   ASPILEGLUASNASNVALARGVALVALVAL
3   TYRILEARGLYSASPVALGLUASPASNSER
4   GLNTHRILEGLULYSGLUGLYGLNTHRVAL
5   THRASNASNASPTYRHISLYSVALTYRASP
6   SERLEULYSASNMETSERTHRVALLYSSER
7   VALTHRPHESERSERLYSGLUGLUGLNTYR
8   GLULYSLEUTHRGLUILEMETGLYASPASN
9   TRPLYSILEPHEGLUGLYASPALAASNPRO
10   LEUTYRASPALATYRILEVALGLUALAASN
11   ALAPROASNASPVALLYSTHRILEALAGLU
12   ASPALALYSLYSILEGLUGLYVALSERGLU
13   VALGLNASPGLYGLYALA

Samples:

sample_1: FtsX extracellular loop 1, [U-99% 13C; U-99% 15N], 0.7 mM; H2O 90%; D2O, [U-99% 2H], 10%; potassium phosphate 50 mM; sodium chloride 50 mM; DSS 0.2 mM

sample_2: FtsX extracellular loop 1, [U-99% 13C; U-99% 15N], 0.7 mM; D2O, [U-99% 2H], 100%; potassium phosphate 50 mM; sodium chloride 50 mM

sample_3: FtsX extracellular loop 1, [U-99% 13C; U-99% 15N], 0.4 mM; H2O 90%; D2O, [U-99% 2H], 10%; potassium phosphate 50 mM; sodium chloride 50 mM; DSS 0.2 mM; Pf1 phage 20 mg/mL

sample_conditions_1: ionic strength: 100 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_2isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D HCCH-COSYsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_2isotropicsample_conditions_1
2D IPAP 1H-15N HSQCsample_1isotropicsample_conditions_1
2D IPAP 1H-15N HSQCsample_3anisotropicsample_conditions_1
2D HBCBCGCDHEsample_2isotropicsample_conditions_1
2D HBCBCGCDCEHEsample_2isotropicsample_conditions_1
HN hNOEsample_2isotropicsample_conditions_1
pseudo 3D T1sample_2isotropicsample_conditions_1
pseudo 3D T2sample_2isotropicsample_conditions_1
HN CPMGsample_2isotropicsample_conditions_1
HN CPMGsample_2isotropicsample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

Analysis, CCPN - chemical shift assignment, peak picking

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

VNMRJ, Varian - collection

TALOS, Cornilescu, Delaglio and Bax - data analysis

SPARKY, Goddard - peak picking

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 800 MHz

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