BMRB Entry 18603

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18603

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Title:
RBP E. coli Assignment of backbone NH, alpha and beta carbons
Deposition date:
2012-07-20
Original release date:
2019-09-04
Authors:
Millet Aguilar Galindo, Oscar; Castano Mayan, David; Ortega Quintanilla, Gabriel; Diercks, Tammo
Citation:

Citation: Ortega, Gabriel; Castano, David; Diercks, Tammo; Millet, Oscar. "Carbohydrate affinity for the glucose-galactose binding protein is regulated by allosteric domain motions"  J. Am. Chem. Soc. 134, 19869-19876 (2012).
PubMed: 23148479

Assembly members:

Assembly members:
RBP, polymer, 272 residues, Formula weight is not available
BETA-D-GLUCOSE, non-polymer, 180.156 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-11m

Entity Sequences (FASTA):

Entity Sequences (FASTA):
RBP: MKDTIALVVSTLNNPFFVSL KDGAQKEADKLGYNLVVLDS QNNPAKELANVQDLTVRGTK ILLINPTDSDAVDNAVKMAN QANIPVITLDRQATKGEVVS HIASDNVLGGKIAGDYIAKK AGEGAKVIELQGIAGTSAAR ERGEGFQQAVAAHKFNVLAS QPADFDRIKGLNVMQNLLTA HPDVQAVFAQNDEMALGALR ALQTAGKSDVMVVGFDGTPD GEKAVNDGKLAATIAQLPDQ IGAKGVETADKVLKGEKVQA KYPVDLKLVVKQ

Data sets:
Data typeCount
13C chemical shifts473
15N chemical shifts248
1H chemical shifts248

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1RBP1
2Glucose2

Entities:

Entity 1, RBP 272 residues - Formula weight is not available

1   METLYSASPTHRILEALALEUVALVALSER
2   THRLEUASNASNPROPHEPHEVALSERLEU
3   LYSASPGLYALAGLNLYSGLUALAASPLYS
4   LEUGLYTYRASNLEUVALVALLEUASPSER
5   GLNASNASNPROALALYSGLULEUALAASN
6   VALGLNASPLEUTHRVALARGGLYTHRLYS
7   ILELEULEUILEASNPROTHRASPSERASP
8   ALAVALASPASNALAVALLYSMETALAASN
9   GLNALAASNILEPROVALILETHRLEUASP
10   ARGGLNALATHRLYSGLYGLUVALVALSER
11   HISILEALASERASPASNVALLEUGLYGLY
12   LYSILEALAGLYASPTYRILEALALYSLYS
13   ALAGLYGLUGLYALALYSVALILEGLULEU
14   GLNGLYILEALAGLYTHRSERALAALAARG
15   GLUARGGLYGLUGLYPHEGLNGLNALAVAL
16   ALAALAHISLYSPHEASNVALLEUALASER
17   GLNPROALAASPPHEASPARGILELYSGLY
18   LEUASNVALMETGLNASNLEULEUTHRALA
19   HISPROASPVALGLNALAVALPHEALAGLN
20   ASNASPGLUMETALALEUGLYALALEUARG
21   ALALEUGLNTHRALAGLYLYSSERASPVAL
22   METVALVALGLYPHEASPGLYTHRPROASP
23   GLYGLULYSALAVALASNASPGLYLYSLEU
24   ALAALATHRILEALAGLNLEUPROASPGLN
25   ILEGLYALALYSGLYVALGLUTHRALAASP
26   LYSVALLEULYSGLYGLULYSVALGLNALA
27   LYSTYRPROVALASPLEULYSLEUVALVAL
28   LYSGLN

Entity 2, Glucose - C6 H12 O6 - 180.156 Da.

1   BGC

Samples:

sample_assi: RBP, [U-100% 13C; U-100% 15N; U-80% 2H], 1 ± 0.1 mM; D2O, [U-2H], 8%; sodium azide 1 mM; sodium chloride 150 mM; calcium chloride 10 uM; TRIS 20 mM

sample_rdc: RBP, [U-15N], 1 ± 0.1 mM; H2O 100%; sodium azide 1 mM; sodium chloride 150 mM; calcium chloride 10 uM; TRIS 20 mM

sample_conditions_1: ionic strength: 0.15 M; pH: 7.1; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_assiisotropicsample_conditions_1
3D HNCOsample_assiisotropicsample_conditions_1
3D HNCAsample_assiisotropicsample_conditions_1
3D HN(CO)CAsample_assiisotropicsample_conditions_1
3D HNCBsample_assiisotropicsample_conditions_1
3D HN(CO)CBsample_assiisotropicsample_conditions_1
2D 1H-15N HSQC - editedsample_rdcisotropicsample_conditions_1
3D HNCO - editedsample_rdcisotropicsample_conditions_1
2D 1H-15N HSQC - editedsample_rdcisotropicsample_conditions_1
3D HNCO - editedsample_rdcisotropicsample_conditions_1

Software:

TOPSPIN v2, Bruker Biospin - collection, processing

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

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - chemical shift assignment, data analysis

NMRView, Johnson, One Moon Scientific - chemical shift assignment

NMR spectrometers:

  • Bruker INOVA 800 MHz
  • Bruker INOVA 600 MHz

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