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 27468

Title: Isoleucine-, leucine-, valine-, alanine-, methionine-, threonine-methyl and backbone chemical shift assignment of gp17.1   PubMed: 29917302

Deposition date: 2018-04-30 Original release date: 2018-07-06

Authors: Zinke, Maximilian; Lange, Adam

Citation: Zinke, Maximilian; Fricke, Pascal; Lange, Sascha; Zinn-Justin, Sophie; Lange, Adam. "Protein-Protein Interfaces Probed by Methyl Labeling and Proton-Detected Solid-State NMR Spectroscopy"  Chemphyschem 19, 2457-2460 (2018).

Assembly members:
gp17.1, polymer, 185 residues, Formula weight is not available

Natural source:   Common Name: SPP1 bacteriophage   Taxonomy ID: 38018   Superkingdom: Viruses   Kingdom: not available   Genus/species: SPP1 bacteriophage

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pETM-13

Entity Sequences (FASTA):
gp17.1: MGMPETPIMGQDVKYLFQSI DAATGSAPLFPAYQTDGSVS GERELFDEQTKNGRILGPGS VADSGEVTYYGKRGDAGQKA IEDAYQNGKQIKFWRVDTVK NENDKYDAQFGFAYIESREY SDGVEGAVEISISLQVIGEL KNGEIDTLPEEIVNVSKGGY DFQQPGQTTGEAPGTVPAPH HHHHH

Data sets:
Data typeCount
13C chemical shifts503
15N chemical shifts152
1H chemical shifts308

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1gp17.1 phage tail1

Entities:

Entity 1, gp17.1 phage tail 185 residues - Formula weight is not available

1   METGLYMETPROGLUTHRPROILEMETGLY
2   GLNASPVALLYSTYRLEUPHEGLNSERILE
3   ASPALAALATHRGLYSERALAPROLEUPHE
4   PROALATYRGLNTHRASPGLYSERVALSER
5   GLYGLUARGGLULEUPHEASPGLUGLNTHR
6   LYSASNGLYARGILELEUGLYPROGLYSER
7   VALALAASPSERGLYGLUVALTHRTYRTYR
8   GLYLYSARGGLYASPALAGLYGLNLYSALA
9   ILEGLUASPALATYRGLNASNGLYLYSGLN
10   ILELYSPHETRPARGVALASPTHRVALLYS
11   ASNGLUASNASPLYSTYRASPALAGLNPHE
12   GLYPHEALATYRILEGLUSERARGGLUTYR
13   SERASPGLYVALGLUGLYALAVALGLUILE
14   SERILESERLEUGLNVALILEGLYGLULEU
15   LYSASNGLYGLUILEASPTHRLEUPROGLU
16   GLUILEVALASNVALSERLYSGLYGLYTYR
17   ASPPHEGLNGLNPROGLYGLNTHRTHRGLY
18   GLUALAPROGLYTHRVALPROALAPROHIS
19   HISHISHISHISHIS

Samples:

sample_1_sample_deut: gp17.1, [u-2H13C15N; 100% back-exchange], 13 mg; sodium phosphate 20 mM; sodium chloride 500 mM; EDTA 1 mM

sample_2_sample_ile: gp17.1, [isoleucine-(1HD1, 13CD1)-u-15N; 100% back-exchange], 13 mg; sodium phosphate 20 mM; sodium chloride 500 mM; EDTA 1 mM

sample_3_sample_ala: gp17.1, [alanine-(1HB, 13CB)-u-15N; 100% back-exchange], 13 mg; sodium phosphate 20 mM; sodium chloride 500 mM; EDTA 1 mM

sample_4_sample_LV: gp17.1, [leucine-(1HD, 13CD)proR-valine-(1HG, 13CG)proR-u-15N; 100% back-exchange], 13 mg; sodium phosphate 20 mM; sodium chloride 500 mM; EDTA 1 mM

sample_5_sample_threonine: gp17.1, [threonine-(1HG2, 13CG2)-u-15N; 100% back-exchange], 13 mg; sodium phosphate 20 mM; sodium chloride 500 mM; EDTA 1 mM

sample_6_sample_methionine: gp17.1, [methionine-(1HE, 13CE)-u-15N; 100% back-exchange], 13 mg; sodium phosphate 20 mM; sodium chloride 500 mM; EDTA 1 mM

sample_7_sample_QLAM: gp17.1, [alanine-(1HB, 13CB)- isoleucine-(1HD1, 13CD1)-( 1HG2, 13CG2)-leucine-(1HD, 13CD)proR/proS-valine-(1HG, 13CG)proR/proS- u-15N; 100% back-exchange] , 13 mg; sodium phosphate 20 mM; sodium chloride 500 mM; EDTA 1 mM

sample_conditions_1: ionic strength: 0.5 M; pH: 7.4; pressure: 1 atm; temperature: 291 K

Experiments:

NameSampleSample stateSample conditions
2D hNHsample_1_sample_deutisotropicsample_conditions_1
3D hCANHsample_1_sample_deutisotropicsample_conditions_1
3D hCONHsample_1_sample_deutisotropicsample_conditions_1
4D hCACONHsample_1_sample_deutisotropicsample_conditions_1
4D hCOCANHsample_1_sample_deutisotropicsample_conditions_1
4D hCBCANHsample_1_sample_deutisotropicsample_conditions_1
2D hCHsample_2_sample_ileisotropicsample_conditions_1
2D HccanHsample_2_sample_ileisotropicsample_conditions_1
3D HNhHsample_2_sample_ileisotropicsample_conditions_1
3D HChHsample_2_sample_ileisotropicsample_conditions_1
2D hCHsample_3_sample_alaisotropicsample_conditions_1
3D HNhHsample_3_sample_alaisotropicsample_conditions_1
2D hCHsample_4_sample_LVisotropicsample_conditions_1
3D HNhHsample_4_sample_LVisotropicsample_conditions_1
3D HChHsample_4_sample_LVisotropicsample_conditions_1
2D hCHsample_5_sample_threonineisotropicsample_conditions_1
3D HNhHsample_5_sample_threonineisotropicsample_conditions_1
2D hCHsample_6_sample_methionineisotropicsample_conditions_1
3D HNhHsample_6_sample_methionineisotropicsample_conditions_1
2D hCHsample_7_sample_QLAMisotropicsample_conditions_1
2D HccanHsample_7_sample_QLAMisotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

CcpNMR, CCPN - chemical shift assignment, data analysis

NMR spectrometers:

  • Bruker Avance 900 MHz

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