BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 25969

Title: Solution NMR structure of the DNA-binding type IV pilin ComP from Neisseri subflava   PubMed: 27161979

Deposition date: 2016-02-02 Original release date: 2016-05-23

Authors: Berry, Jamie; Xu, Yingqi

Citation: Berry, Jamie; Xu, Yingqi; Ward, Philip; Lea, Susan; Matthews, Stephen; Pelicic, Vladimir. "A Comparative Structure/Function Analysis of Two Type IV Pilin DNA Receptors Defines a Novel Mode of DNA Binding"  Structure 24, 926-934 (2016).

Assembly members:
entity, polymer, 119 residues, 13071.196 Da.

Natural source:   Common Name: b-proteobacteria   Taxonomy ID: 28449   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Neisseria subflava

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

Entity Sequences (FASTA):
entity: HRSANLRAAHAALLENARFM EQFYAKKGSFKLTSTKWPEL PVKEAGGFCIRMSGQAKGIL EGKFTLKAVALDREAEPRVL RLNESLTAVVCGKMKGKGSC TDGEEIFRGNDAECRPFTG

Data sets:
Data typeCount
13C chemical shifts513
15N chemical shifts115
1H chemical shifts799

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1ComP1

Entities:

Entity 1, ComP 119 residues - 13071.196 Da.

1   HISARGSERALAASNLEUARGALAALAHIS
2   ALAALALEULEUGLUASNALAARGPHEMET
3   GLUGLNPHETYRALALYSLYSGLYSERPHE
4   LYSLEUTHRSERTHRLYSTRPPROGLULEU
5   PROVALLYSGLUALAGLYGLYPHECYSILE
6   ARGMETSERGLYGLNALALYSGLYILELEU
7   GLUGLYLYSPHETHRLEULYSALAVALALA
8   LEUASPARGGLUALAGLUPROARGVALLEU
9   ARGLEUASNGLUSERLEUTHRALAVALVAL
10   CYSGLYLYSMETLYSGLYLYSGLYSERCYS
11   THRASPGLYGLUGLUILEPHEARGGLYASN
12   ASPALAGLUCYSARGPROPHETHRGLY

Samples:

sample_1: ComP, [U-98% 13C; U-98% 15N], 750 uM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.05 M; pH: 6; pressure: 1 atm; temperature: 295 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1

Software:

ARIA v2.1, Linge, O'Donoghue and Nilges - structure solution

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