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 34325

Title: Solution NMR structure of PilE1 from Streptococcus sanguinis   PubMed: 30837269

Deposition date: 2018-11-01 Original release date: 2019-03-04

Authors: Berry, J.; Xu, Y.

Citation: Berry, Jamie-Lee; Gurung, Ishwori; Anonsen, Jan Haug; Spielman, Ingrid; Harper, Elliot; Hall, Alexander; Goosens, Vivianne; Raynaud, Claire; Koomey, Michael; Biais, Nicolas; Matthews, Steve; Pelicic, Vladimir. "Global biochemical and structural analysis of the type IV pilus from the Gram-positive bacterium Streptococcus sanguinis"  J. Biol. Chem. 294, 6796-6808 (2019).

Assembly members:
entity_1, polymer, 113 residues, 12084.061 Da.

Natural source:   Common Name: Streptococcus sanguinis   Taxonomy ID: 1305   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Streptococcus sanguinis

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli DH1

Entity Sequences (FASTA):
entity_1: HQDNARKSRIQSEHRELVSA IQSYIGAQDDPTNPSEITLA KLAPYMSKNAKNEDGIVNSL AKDKSGNSSTSAPGSAHQID TTNHKLISTFTPSNGGQATV LTYDWSANGVNSN

Data sets:
Data typeCount
13C chemical shifts459
15N chemical shifts106
1H chemical shifts698

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 113 residues - 12084.061 Da.

1   HISGLNASPASNALAARGLYSSERARGILE
2   GLNSERGLUHISARGGLULEUVALSERALA
3   ILEGLNSERTYRILEGLYALAGLNASPASP
4   PROTHRASNPROSERGLUILETHRLEUALA
5   LYSLEUALAPROTYRMETSERLYSASNALA
6   LYSASNGLUASPGLYILEVALASNSERLEU
7   ALALYSASPLYSSERGLYASNSERSERTHR
8   SERALAPROGLYSERALAHISGLNILEASP
9   THRTHRASNHISLYSLEUILESERTHRPHE
10   THRPROSERASNGLYGLYGLNALATHRVAL
11   LEUTHRTYRASPTRPSERALAASNGLYVAL
12   ASNSERASN

Samples:

sample_1: PilE1, [U-13C; U-15N], 750 nM; Sodium Phosphate 750 mM; NaCl 750 mM

sample_conditions_1: ionic strength: 50 mM; pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

CNS, Brunger A. T. et.al. - refinement

ARIA, Linge, O'Donoghue, Nilges - structure calculation

NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker Avance 800 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts